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PDB: 46130 件
4WJ0
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BU of 4wj0 by Molmil
Structure of PH1245, a cas1 from Pyrococcus horikoshii
分子名称: CHLORIDE ION, CRISPR-associated endonuclease Cas1
著者Petit, P, Brown, G, Savchenko, A, Yakunin, A.F.
登録日2014-09-29
公開日2014-10-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure of PH1245, a cas1 from Pyrococcus horikoshii
To Be Published
4WL7
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BU of 4wl7 by Molmil
Room-temperature crystal structure of lysozyme determined by serial synchrotron crystallography using a micro focused beam (Conventional resolution cut-off)
分子名称: CHLORIDE ION, Lysozyme C
著者Coquelle, N, Brewster, A.S, Kapp, U, Shilova, A, Weinhausen, B, Burghammer, M, Colletier, J.P.
登録日2014-10-06
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams.
Acta Crystallogr.,Sect.D, 71, 2015
6OV1
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BU of 6ov1 by Molmil
Structure of Staphylococcus aureus RNase P protein mutant with defective mRNA degradation activity
分子名称: Ribonuclease P protein component
著者Ha, L, Colquhoun, J, Noinaj, N, Das, C, Dunman, P, Flaherty, D.P.
登録日2019-05-06
公開日2020-12-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Genetic and biochemical characterization of Staphylococcus aureus RnpA
To Be Published
4WT3
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BU of 4wt3 by Molmil
The N-terminal domain of Rubisco Accumulation Factor 1 from Arabidopsis thaliana
分子名称: Rubisco Accumulation Factor 1, isoform 2
著者Hauser, T, Bhat, J.Y, Milicic, G, Wendler, P, Hartl, F.U, Bracher, A, Hayer-Hartl, M.
登録日2014-10-29
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Structure and mechanism of the Rubisco-assembly chaperone Raf1.
Nat.Struct.Mol.Biol., 22, 2015
4WT4
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BU of 4wt4 by Molmil
The C-terminal domain of Rubisco Accumulation Factor 1 from Arabidopsis thaliana, crystal form I
分子名称: PHOSPHATE ION, Rubisco Accumulation Factor 1, isoform 2
著者Hauser, T, Bhat, J.Y, Milicic, G, Wendler, P, Hartl, F.U, Bracher, A, Hayer-Hartl, M.
登録日2014-10-29
公開日2015-07-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structure and mechanism of the Rubisco-assembly chaperone Raf1.
Nat.Struct.Mol.Biol., 22, 2015
4WT5
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BU of 4wt5 by Molmil
The C-terminal domain of Rubisco Accumulation Factor 1 from Arabidopsis thaliana, crystal form II
分子名称: Rubisco Accumulation Factor 1, isoform 2
著者Hauser, T, Bhat, J.Y, Milicic, G, Wendler, P, Hartl, F.U, Bracher, A, Hayer-Hartl, M.
登録日2014-10-29
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.568 Å)
主引用文献Structure and mechanism of the Rubisco-assembly chaperone Raf1.
Nat.Struct.Mol.Biol., 22, 2015
4WQL
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BU of 4wql by Molmil
Crystal structure of aminoglycoside nucleotidylyltransferase ANT(2")-Ia, kanamycin-bound
分子名称: 2''-aminoglycoside nucleotidyltransferase, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Cox, G, Stogios, P.J, Savchenko, A, Wright, G.D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-10-22
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural and Molecular Basis for Resistance to Aminoglycoside Antibiotics by the Adenylyltransferase ANT(2)-Ia.
Mbio, 6, 2015
4X2K
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BU of 4x2k by Molmil
Selection of fragments for kinase inhibitor design: decoration is key
分子名称: 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, TGF-beta receptor type-1
著者Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D.
登録日2014-11-26
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015
4X6J
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BU of 4x6j by Molmil
Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors.
分子名称: 2-amino-4-chloro-N-(1-{[(2E)-2-iminoethyl]carbamoyl}cyclohexyl)benzamide, CHLORIDE ION, Cathepsin K, ...
著者Borisek, J, Mohar, B, Vizovisek, M, Sosnowski, P, Turk, D, Turk, B, Novic, M.
登録日2014-12-08
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors.
J.Med.Chem., 58, 2015
7AHA
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BU of 7aha by Molmil
Structure of SARS-CoV-2 Main Protease bound to Maleate.
分子名称: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者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.
登録日2020-09-24
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
4WGL
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BU of 4wgl by Molmil
Crystal structure of a GroEL D83A/R197A double mutant
分子名称: 60 kDa chaperonin
著者Yang, D, Fei, X, LaRonde, N.A, Beckett, D, Lund, P.A, Lorimer, G.H.
登録日2014-09-19
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Crystal structure of a GroEL D83A/R197A double mutant
To Be Published
4WLQ
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BU of 4wlq by Molmil
Crystal structure of mUCH37-hRPN13 CTD complex
分子名称: Proteasomal ubiquitin receptor ADRM1, Ubiquitin carboxyl-terminal hydrolase isozyme L5
著者Hemmis, C.W, Hill, C.P, VanderLinden, R, Whitby, F.G.
登録日2014-10-07
公開日2015-03-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural Basis for the Activation and Inhibition of the UCH37 Deubiquitylase.
Mol.Cell, 57, 2015
7AGA
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BU of 7aga by Molmil
Structure of SARS-CoV-2 Main Protease bound to AT7519
分子名称: 3C-like proteinase, 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CHLORIDE ION, ...
著者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.
登録日2020-09-22
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7ANS
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BU of 7ans by Molmil
Structure of SARS-CoV-2 Main Protease bound to Adrafinil.
分子名称: 2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者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.
登録日2020-10-12
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AQJ
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BU of 7aqj by Molmil
Structure of SARS-CoV-2 Main Protease bound to Triglycidyl isocyanurate.
分子名称: 1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione, 3C-like proteinase, Triglycidyl isocyanurate
著者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.
登録日2020-10-22
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AVD
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BU of 7avd by Molmil
Structure of SARS-CoV-2 Main Protease bound to SEN1269 ligand
分子名称: 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol, 3C-like proteinase, CHLORIDE ION
著者Koua, F, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Ewert, W, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, 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.
登録日2020-11-05
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AWU
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BU of 7awu by Molmil
Structure of SARS-CoV-2 Main Protease bound to LSN2463359.
分子名称: 3C-like proteinase, CHLORIDE ION, ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide
著者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.
登録日2020-11-09
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
4WRD
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BU of 4wrd by Molmil
Crystal structure of Staphylcoccal nulease variant Delta+PHS V66E L125E at cryogenic temperature
分子名称: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
著者Bell-Upp, P.C, Schlessman, J.L, Garcia-Moreno E, B.
登録日2014-10-23
公開日2015-07-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of Staphylcoccal nulease variant Delta+PHS V66E L125E at cryogenic temperature
to be published
6P0B
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BU of 6p0b by Molmil
Human DNA Ligase 1 (E346A/E592A) Bound to an Adenylated, dideoxy Terminated DNA nick with 200 mM Mg2+
分子名称: ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*C)-3'), ...
著者Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A.
登録日2019-05-16
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
4WVY
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BU of 4wvy by Molmil
Double-heterohexameric rings of full-length Rvb1(ATP)/Rvb2(apo)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, RuvB-like 1, RuvB-like 2
著者Hopfner, K.-P, Lakomek, K.
登録日2014-11-08
公開日2015-02-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.64 Å)
主引用文献Structural Basis for Dodecameric Assembly States and Conformational Plasticity of the Full-Length AAA+ ATPases Rvb1Rvb2.
Structure, 23, 2015
7AOL
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BU of 7aol by Molmil
Structure of SARS-CoV-2 Main Protease bound to Climbazole
分子名称: (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者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.
登録日2020-10-14
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AXO
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BU of 7axo by Molmil
Structure of SARS-CoV-2 Main Protease bound to AR-42.
分子名称: 3C-like proteinase, AR-42, DIMETHYL SULFOXIDE
著者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.
登録日2020-11-10
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
4WZI
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BU of 4wzi by Molmil
Crystal structure of crosslink stabilized long-form PDE4B
分子名称: IODIDE ION, MAGNESIUM ION, SODIUM ION, ...
著者Cedervall, P, Pandit, J.
登録日2014-11-19
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Engineered stabilization and structural analysis of the autoinhibited conformation of PDE4.
Proc.Natl.Acad.Sci.USA, 112, 2015
5MMS
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BU of 5mms by Molmil
Human cystathionine beta-synthase (CBS) p.P49L delta409-551 variant
分子名称: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE, ...
著者Vicente, J.B, Colaco, H.G, Malagrino, F, Santo, P.E, Gutierres, A, Bandeiras, T.M, Leandro, P, Brito, J.A, Giuffre, A.
登録日2016-12-12
公開日2017-05-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A Clinically Relevant Variant of the Human Hydrogen Sulfide-Synthesizing Enzyme Cystathionine beta-Synthase: Increased CO Reactivity as a Novel Molecular Mechanism of Pathogenicity?
Oxid Med Cell Longev, 2017, 2017
4X3J
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BU of 4x3j by Molmil
Selection of fragments for kinase inhibitor design: decoration is key
分子名称: 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, Angiopoietin-1 receptor
著者Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D.
登録日2014-11-30
公開日2014-12-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Selection of fragments for kinase inhibitor design: decoration is key.
J.Med.Chem., 58, 2015

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