1DOY
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![BU of 1doy by Molmil](/molmil-images/mine/1doy) | 1H AND 15N SEQUENTIAL ASSIGNMENT, SECONDARY STRUCTURE AND TERTIARY FOLD OF [2FE-2S] FERREDOXIN FROM SYNECHOCYSTIS SP. PCC 6803 | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN [2FE-2S] | Authors: | Lelong, C, Setif, P, Bottin, H, Andre, F, Neumann, J.M. | Deposit date: | 1995-09-14 | Release date: | 1996-03-08 | Last modified: | 2024-06-05 | Method: | SOLUTION NMR | Cite: | 1H and 15N NMR sequential assignment, secondary structure, and tertiary fold of [2Fe-2S] ferredoxin from Synechocystis sp. PCC 6803. Biochemistry, 34, 1995
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1DOX
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![BU of 1dox by Molmil](/molmil-images/mine/1dox) | 1H AND 15N SEQUENTIAL ASSIGNMENT, SECONDARY STRUCTURE AND TERTIARY FOLD OF [2FE-2S] FERREDOXIN FROM SYNECHOCYSTIS SP. PCC 6803 | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FERREDOXIN [2FE-2S] | Authors: | Lelong, C, Setif, P, Bottin, H, Andre, F, Neumann, J.M. | Deposit date: | 1995-09-14 | Release date: | 1996-03-08 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | 1H and 15N NMR sequential assignment, secondary structure, and tertiary fold of [2Fe-2S] ferredoxin from Synechocystis sp. PCC 6803. Biochemistry, 34, 1995
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2B68
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![BU of 2b68 by Molmil](/molmil-images/mine/2b68) | Solution structure of the recombinant Crassostrea gigas defensin | Descriptor: | defensin | Authors: | Gueguen, Y, Amaury, H, Aumelas, A, Garnier, J, Fievet, J, Escoubas, J.M, Bulet, P, Gonzales, M, Lelong, C, Favrel, P, Bachere, E. | Deposit date: | 2005-09-30 | Release date: | 2005-11-29 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Characterization of a Defensin from the Oyster Crassostrea gigas: recombinant production, folding, solution structure, antimicrobial activities and gene expression J.Biol.Chem., 281, 2006
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8HGO
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![BU of 8hgo by Molmil](/molmil-images/mine/8hgo) | The EGF-bound EGFR/HER2 ectodomain complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor, ... | Authors: | Zhang, Z, Bai, X. | Deposit date: | 2022-11-15 | Release date: | 2023-02-08 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | Structure and dynamics of the EGFR/HER2 heterodimer. Cell Discov, 9, 2023
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8HGP
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![BU of 8hgp by Molmil](/molmil-images/mine/8hgp) | The EREG-bound EGFR/HER2 ectodomain complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | Authors: | Zhang, Z, Bai, X. | Deposit date: | 2022-11-15 | Release date: | 2023-02-08 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (4.53 Å) | Cite: | Structure and dynamics of the EGFR/HER2 heterodimer. Cell Discov, 9, 2023
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8HGS
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![BU of 8hgs by Molmil](/molmil-images/mine/8hgs) | The EGF-bound EGFR ectodomain homodimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, Pro-epidermal growth factor, ... | Authors: | Zhang, Z, Bai, X. | Deposit date: | 2022-11-15 | Release date: | 2023-02-15 | Last modified: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Structure and dynamics of the EGFR/HER2 heterodimer. Cell Discov, 9, 2023
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3O1G
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![BU of 3o1g by Molmil](/molmil-images/mine/3o1g) | |
3O0U
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![BU of 3o0u by Molmil](/molmil-images/mine/3o0u) | |
3N3G
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![BU of 3n3g by Molmil](/molmil-images/mine/3n3g) | 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important | Descriptor: | (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine, 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile, Cathepsin S, ... | Authors: | Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. | Deposit date: | 2010-05-20 | Release date: | 2010-07-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important. Bioorg.Med.Chem.Lett., 20, 2010
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3OVX
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3OVZ
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![BU of 3ovz by Molmil](/molmil-images/mine/3ovz) | Cathepsin K in complex with a covalent inhibitor with a ketoamide warhead | Descriptor: | Cathepsin K, N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide, SULFATE ION | Authors: | Fradera, X, van Zeeland, M, Uitdehaag, J.C.M. | Deposit date: | 2010-09-17 | Release date: | 2010-12-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3N4C
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![BU of 3n4c by Molmil](/molmil-images/mine/3n4c) | 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors | Descriptor: | (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine, Cathepsin S, DIMETHYL SULFOXIDE, ... | Authors: | Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. | Deposit date: | 2010-05-21 | Release date: | 2011-04-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3EIT
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![BU of 3eit by Molmil](/molmil-images/mine/3eit) | |
3EIR
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![BU of 3eir by Molmil](/molmil-images/mine/3eir) | |
3KWZ
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![BU of 3kwz by Molmil](/molmil-images/mine/3kwz) | |
3KX1
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![BU of 3kx1 by Molmil](/molmil-images/mine/3kx1) | |
3KWB
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![BU of 3kwb by Molmil](/molmil-images/mine/3kwb) | Structure of CatK covalently bound to a dioxo-triazine inhibitor | Descriptor: | 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, Cathepsin K | Authors: | Uitdehaag, J.C.M, van Zeeland, M. | Deposit date: | 2009-12-01 | Release date: | 2010-04-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Dioxo-triazines as a novel series of cathepsin K inhibitors Bioorg.Med.Chem.Lett., 20, 2010
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3KW9
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![BU of 3kw9 by Molmil](/molmil-images/mine/3kw9) | |
8T6B
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![BU of 8t6b by Molmil](/molmil-images/mine/8t6b) | Human VMAT2 in complex with serotonin | Descriptor: | SEROTONIN, Synaptic vesicular amine transporter | Authors: | Pidathala, S, Dai, Y, Lee, C.H. | Deposit date: | 2023-06-15 | Release date: | 2023-11-01 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2. Nature, 623, 2023
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8T69
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![BU of 8t69 by Molmil](/molmil-images/mine/8t69) | Human VMAT2 in complex with tetrabenazine | Descriptor: | Synaptic vesicular amine transporter, tetrabenazine | Authors: | Pidathala, S, Dai, Y, Lee, C.H. | Deposit date: | 2023-06-15 | Release date: | 2023-11-01 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2. Nature, 623, 2023
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8T6A
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![BU of 8t6a by Molmil](/molmil-images/mine/8t6a) | Human VMAT2 in complex with reserpine | Descriptor: | Synaptic vesicular amine transporter, reserpine | Authors: | Pidathala, S, Dai, Y, Lee, C.H. | Deposit date: | 2023-06-15 | Release date: | 2023-11-01 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Mechanisms of neurotransmitter transport and drug inhibition in human VMAT2. Nature, 623, 2023
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7DWS
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![BU of 7dws by Molmil](/molmil-images/mine/7dws) | |
8IGN
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![BU of 8ign by Molmil](/molmil-images/mine/8ign) | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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2Q8Y
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2P1W
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![BU of 2p1w by Molmil](/molmil-images/mine/2p1w) | |