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7AX6
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BU of 7ax6 by Molmil
Structure of SARS-CoV-2 Main Protease bound to Glutathione isopropyl ester
Descriptor: (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-11-09
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AY7
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BU of 7ay7 by Molmil
Structure of SARS-CoV-2 Main Protease bound to Isofloxythepin
Descriptor: 3C-like proteinase, 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine, DI(HYDROXYETHYL)ETHER, ...
Authors:Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-11-11
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AR6
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BU of 7ar6 by Molmil
Structure of apo SARS-CoV-2 Main Protease with large beta angle, space group C2.
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Boger, J, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-10-23
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AP6
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BU of 7ap6 by Molmil
Structure of SARS-CoV-2 Main Protease bound to MUT056399.
Descriptor: 3C-like proteinase, 4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide
Authors:Ewert, W, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-10-16
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AWS
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BU of 7aws by Molmil
Structure of SARS-CoV-2 Main Protease bound to TH-302.
Descriptor: 3C-like proteinase, 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-11-09
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AXM
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BU of 7axm by Molmil
Structure of SARS-CoV-2 Main Protease bound to Pelitinib
Descriptor: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-11-09
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
1SHW
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BU of 1shw by Molmil
EphB2 / EphrinA5 Complex Structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 2, Ephrin-A5, ...
Authors:Himanen, J.P, Chumley, M.J, Lackmann, M, Li, C, Barton, W.A, Jeffrey, P.D, Vearing, C, Geleick, D, Feldheim, D.A, Boyd, A.W.
Deposit date:2004-02-26
Release date:2004-05-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Repelling class discrimination: ephrin-A5 binds to and activates EphB2 receptor signaling
Nat.Neurosci., 7, 2004
1EER
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BU of 1eer by Molmil
CRYSTAL STRUCTURE OF HUMAN ERYTHROPOIETIN COMPLEXED TO ITS RECEPTOR AT 1.9 ANGSTROMS
Descriptor: ERYTHROPOIETIN, ERYTHROPOIETIN RECEPTOR
Authors:Syed, R.S, Li, C.
Deposit date:1998-07-24
Release date:1999-10-01
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Efficiency of signalling through cytokine receptors depends critically on receptor orientation.
Nature, 395, 1998
2AYM
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BU of 2aym by Molmil
Solution Structure of Drosophila melanogaster SNF RBD2
Descriptor: U1 small nuclear ribonucleoprotein A
Authors:Cui, G, Li, C, Jin, C, Xia, B.
Deposit date:2005-09-07
Release date:2007-02-13
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution Structure of Drosophila melanogaster SNF RBD2
To be published
2B0G
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BU of 2b0g by Molmil
Solution Structure of Drosophila melanogaster SNF RBD2
Descriptor: U1 small nuclear ribonucleoprotein A
Authors:Cui, G, Li, C, Jin, C, Xia, B.
Deposit date:2005-09-14
Release date:2006-12-12
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution Structure of Drosophila melanogaster SNF RBD2
TO BE PUBLISHED
8UDV
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BU of 8udv by Molmil
The X-RAY co-crystal structure of human FGFR3 V555M and Compound 17
Descriptor: 1,2-ETHANEDIOL, 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, Fibroblast growth factor receptor 3, ...
Authors:Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W.
Deposit date:2023-09-29
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.348 Å)
Cite:Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
8UDT
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BU of 8udt by Molmil
The X-RAY co-crystal structure of human FGFR3 and KIN-3248
Descriptor: 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, D-MALATE, Fibroblast growth factor receptor 3
Authors:Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W.
Deposit date:2023-09-29
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.829 Å)
Cite:Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
8UDU
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BU of 8udu by Molmil
The X-RAY co-crystal structure of human FGFR3 and Compound 17
Descriptor: 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, CHLORIDE ION, Fibroblast growth factor receptor 3
Authors:Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W.
Deposit date:2023-09-29
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.737 Å)
Cite:Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
1JCH
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BU of 1jch by Molmil
Crystal Structure of Colicin E3 in Complex with its Immunity Protein
Descriptor: CITRIC ACID, COLICIN E3, COLICIN E3 IMMUNITY PROTEIN, ...
Authors:Soelaiman, S, Jakes, K, Wu, N, Li, C, Shoham, M.
Deposit date:2001-06-09
Release date:2001-11-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Crystal structure of colicin E3: implications for cell entry and ribosome inactivation.
Mol.Cell, 8, 2001
3TKZ
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BU of 3tkz by Molmil
Structure of the SHP-2 N-SH2 domain in a 1:2 complex with RVIpYFVPLNR peptide
Descriptor: PROTEIN (RVIpYFVPLNR peptide), Tyrosine-protein phosphatase non-receptor type 11
Authors:Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D.
Deposit date:2011-08-29
Release date:2011-10-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain.
Biochemistry, 50, 2011
3TL0
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BU of 3tl0 by Molmil
Structure of SHP2 N-SH2 domain in complex with RLNpYAQLWHR peptide
Descriptor: RLNpYAQLWHR peptide, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D.
Deposit date:2011-08-29
Release date:2011-09-28
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain.
Biochemistry, 50, 2011
7B83
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BU of 7b83 by Molmil
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc
Descriptor: 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-12-12
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7F79
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BU of 7f79 by Molmil
Crystal structure of glutamate dehydrogenase 3 from Candida albicans in complex with alpha-ketoglutarate and NADPH
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, Glutamate dehydrogenase, ...
Authors:Li, N, Wang, W, Zeng, X, Liu, M, Li, M, Li, C, Wang, M.
Deposit date:2021-06-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of glutamate dehydrogenase 3 from Candida albicans.
Biochem.Biophys.Res.Commun., 570, 2021
7F77
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BU of 7f77 by Molmil
Crystal structure of glutamate dehydrogenase 3 from Candida albicans
Descriptor: Glutamate dehydrogenase
Authors:Li, N, Wang, W, Zeng, X, Liu, M, Li, M, Li, C, Wang, M.
Deposit date:2021-06-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.086 Å)
Cite:Crystal structure of glutamate dehydrogenase 3 from Candida albicans.
Biochem.Biophys.Res.Commun., 570, 2021
4XE4
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BU of 4xe4 by Molmil
Coagulation Factor XII protease domain crystal structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL
Authors:Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J.
Deposit date:2014-12-22
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Coagulation factor XII protease domain crystal structure.
J.Thromb.Haemost., 13, 2015
4XDE
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BU of 4xde by Molmil
Coagulation Factor XII protease domain crystal structure
Descriptor: CITRATE ANION, Coagulation factor XII, ISOPROPYL ALCOHOL
Authors:Pathak, M, Wilmann, P, Awford, J, Li, C, Fisher, P.M, Dreveny, I, Dekker, L.V, Emsley, J.
Deposit date:2014-12-19
Release date:2015-02-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Coagulation factor XII protease domain crystal structure.
J.Thromb.Haemost., 13, 2015
6P4E
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BU of 6p4e by Molmil
Leishmania mexicana CPB in complex with an aza-nitrile inhibitor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name), ...
Authors:Ribeiro, J.F.R, Li, C, De Vita, D, Emsley, J, Montanari, C.A.
Deposit date:2019-05-27
Release date:2020-06-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:High Resolution X-Ray Crystal Structures of LmCPB2.8 Co-Crystalized with Dipeptidyl Aza-nitrile Inhibitor and Structure Activity Relationships
To Be Published
6QF7
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BU of 6qf7 by Molmil
Crystal structures of the recombinant beta-Factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, ...
Authors:Pathak, M, Mannal, R, Li, C, Bubacarr, G.K, Badraldin, K.H, Belviso, B.D, Camila, R.B, Dreveny, I, Fischer, P.M, Dekker, L.V, Oliva, M.L.V, Emsley, J.
Deposit date:2019-01-09
Release date:2019-06-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4 Å)
Cite:Crystal structures of the recombinant beta-factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics.
Acta Crystallogr D Struct Biol, 75, 2019
8I4T
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BU of 8i4t by Molmil
Structure of the asymmetric unit of SFTSV virion
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein
Authors:Du, S, Peng, R, Qi, J, Li, C.
Deposit date:2023-01-21
Release date:2023-09-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
4Q3H
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The crystal structure of NHERF1 PDZ2 CXCR2 complex revealed by the NHERF1 CXCR2 chimeric protein
Descriptor: Na(+)/H(+) exchange regulatory cofactor NHE-RF1
Authors:Holcomb, J, Jiang, Y, Trescott, L, Lu, G, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z.
Deposit date:2014-04-11
Release date:2014-05-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.443 Å)
Cite:Crystal structure of the NHERF1 PDZ2 domain in complex with the chemokine receptor CXCR2 reveals probable modes of PDZ2 dimerization.
Biochem.Biophys.Res.Commun., 448, 2014

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