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4K7P
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BU of 4k7p by Molmil
Generation and Characterization of a Unique Reagent that Recognizes a Panel of Recombinant Human Monoclonal Antibody Therapeutics in the Presence of Endogenous Human IgG
Descriptor: antibody 10C4 Fab fragment heavy chain, antibody 10C4 Fab fragment light chain, antibody rhumAb6 Fab fragment heavy chain, ...
Authors:Eigenbrot, C, Shia, S.
Deposit date:2013-04-17
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Generation and characterization of a unique reagent that recognizes a panel of recombinant human monoclonal antibody therapeutics in the presence of endogenous human IgG.
MAbs, 5, 2013
7AWR
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BU of 7awr by Molmil
Structure of SARS-CoV-2 Main Protease bound to Tegafur
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, TEGAFUR
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 (1.34 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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:2024-10-09
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
4X8A
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BU of 4x8a by Molmil
NavMS pore and C-terminal domain grown from protein purified in LiCl
Descriptor: HEGA-10, Ion transport protein, NONAETHYLENE GLYCOL, ...
Authors:Naylor, C.E, Bagneris, C, Wallace, B.A.
Deposit date:2014-12-10
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Molecular basis of ion permeability in a voltage-gated sodium channel.
Embo J., 35, 2016
5Z1T
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BU of 5z1t by Molmil
Crystal Structure Analysis of the BRD4(1)
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
7OA3
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BU of 7oa3 by Molmil
Crystal structure of Chili RNA aptamer in complex with DMHBO+ (Iridium hexammine co-crystallized form)
Descriptor: Chili RNA Aptamer, DMHBO+, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Mieczkowski, M, Pena, V, Hoebartner, C.
Deposit date:2021-04-19
Release date:2021-06-16
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine.
Nat Commun, 12, 2021
7OAX
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BU of 7oax by Molmil
Crystal structure of the Chili RNA aptamer in complex with DMHBO+
Descriptor: CHLORIDE ION, Chili RNA Aptamer, DMHBO+, ...
Authors:Mieczkowski, M, Pena, V, Hoebartner, C.
Deposit date:2021-04-20
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine.
Nat Commun, 12, 2021
7OAW
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BU of 7oaw by Molmil
Crystal structure of the Chili RNA aptamer in complex with DMHBI+
Descriptor: CHLORIDE ION, Chili RNA Aptamer, DMHBI+, ...
Authors:Mieczkowski, M, Pena, V, Hoebartner, C.
Deposit date:2021-04-20
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine.
Nat Commun, 12, 2021
7OAV
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BU of 7oav by Molmil
Crystal structure of Chili RNA aptamer in complex with DMHBO+ (Iridium III hexammine soaking crystal form)
Descriptor: CHLORIDE ION, Chili RNA Aptamer, DMHBO+, ...
Authors:Mieczkowski, M, Pena, V, Hoebartner, C.
Deposit date:2021-04-20
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Large Stokes shift fluorescence activation in an RNA aptamer by intermolecular proton transfer to guanine.
Nat Commun, 12, 2021
1J1C
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BU of 1j1c by Molmil
Binary complex structure of human tau protein kinase I with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glycogen synthase kinase-3 beta, MAGNESIUM ION
Authors:Aoki, M, Yokota, T, Sugiura, I, Sasaki, C, Hasegawa, T, Okumura, C, Kohno, T, Sugio, S, Matsuzaki, T.
Deposit date:2002-12-03
Release date:2003-12-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insight into nucleotide recognition in tau-protein kinase I/glycogen synthase kinase 3 beta.
Acta Crystallogr.,Sect.D, 60, 2004
1JFW
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BU of 1jfw by Molmil
HOMONUCLEAR AND HETERONUCLEAR 1H-13C NUCLEAR MAGNETIC RESONANCE ASSIGNMENT AND STRUCTURAL CHARACTERIZATION OF A HIV-1 TAT PROTEIN
Descriptor: TAT PROTEIN
Authors:Peloponese, J.M, Gregoire, C, Opi, S, Esquieu, D.
Deposit date:2001-06-22
Release date:2001-08-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:1H-13C nuclear magnetic resonance assignment and structural characterization of HIV-1 Tat protein.
C.R.Acad.Sci.III, 323, 2000
7NRN
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BU of 7nrn by Molmil
NMR structure of GIPC1-GH2 domain
Descriptor: PDZ domain-containing protein GIPC1
Authors:Barthe, P, Roumestand, C.
Deposit date:2021-03-04
Release date:2021-04-14
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Pressure and Chemical Unfolding of an alpha-Helical Bundle Protein: The GH2 Domain of the Protein Adaptor GIPC1.
Int J Mol Sci, 22, 2021
5HFQ
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BU of 5hfq by Molmil
Crystal structure of the second bromodomain Q443H mutant of human BRD2
Descriptor: Bromodomain-containing protein 2
Authors:Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Fonseca, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2016-01-07
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the second bromodomain Q443H mutant of human BRD2
To Be Published
5HEM
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BU of 5hem by Molmil
Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Bromodomain-containing protein 2, ...
Authors:Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2016-01-06
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2
To Be Published
3MDY
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BU of 3mdy by Molmil
Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189
Descriptor: 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Bone morphogenetic protein receptor type-1B, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Chaikuad, A, Sanvitale, C, Mahajan, P, Daga, N, Cooper, C, Krojer, T, Alfano, I, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2010-03-31
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the cytoplasmic domain of the bone morphogenetic protein receptor type-1B (BMPR1B) in complex with FKBP12 and LDN-193189
To be Published
5HFR
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BU of 5hfr by Molmil
Crystal structure of the second bromodomain H395R mutant of human BRD3
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 3, NITRATE ION
Authors:Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Fonseca, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
Deposit date:2016-01-07
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the second bromodomain H395R mutant of human BRD3
To Be Published
1C1U
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BU of 1c1u by Molmil
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Descriptor: (5-AMIDINO-2-BENZIMIDAZOLYL)(2-BENZIMIDAZOLYL)METHANE, ACETYL HIRUDIN, ALPHA THROMBIN, ...
Authors:Katz, B.A, Luong, C.
Deposit date:1999-07-21
Release date:2000-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
4TWD
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BU of 4twd by Molmil
X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC) in complex with memantine
Descriptor: Cys-loop ligand-gated ion channel, Memantine
Authors:Ulens, C, Spurny, R, Thompson, A.J, Alqazzaz, M, Debaveye, S, Lu, H, Price, K, Villalgordo, J.M, Tresadern, G, Lynch, J.W, Lummis, S.C.R.
Deposit date:2014-06-30
Release date:2014-09-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Prokaryote Ligand-Gated Ion Channel ELIC Captured in a Pore Blocker-Bound Conformation by the Alzheimer's Disease Drug Memantine.
Structure, 22, 2014
4TYB
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BU of 4tyb by Molmil
An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Descriptor: (2R)-morpholin-4-yl(phenyl)ethanenitrile, Polyprotein
Authors:Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S.
Deposit date:2014-07-08
Release date:2015-05-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
1C57
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BU of 1c57 by Molmil
DIRECT DETERMINATION OF THE POSITIONS OF DEUTERIUM ATOMS OF BOUND WATER IN CONCANAVALIN A BY NEUTRON LAUE CRYSTALLOGRAPHY
Descriptor: CALCIUM ION, Concanavalin-Br, MANGANESE (II) ION
Authors:Habash, J, Raftery, J, Nuttall, R, Price, H.J, Lehmann, M.S, Wilkinson, C, Kalb, A.J, Helliwell, J.R.
Deposit date:1999-10-26
Release date:2000-05-08
Last modified:2023-12-27
Method:NEUTRON DIFFRACTION (2.4 Å)
Cite:Direct determination of the positions of the deuterium atoms of the bound water in -concanavalin A by neutron Laue crystallography.
Acta Crystallogr.,Sect.D, 56, 2000

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