5YHY
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![BU of 5yhy by Molmil](/molmil-images/mine/5yhy) | Structure of Lactococcus lactis ZitR, C30S mutant | Descriptor: | ZINC ION, Zinc transport transcriptional regulator | Authors: | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | Deposit date: | 2017-10-01 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation. Proc.Natl.Acad.Sci.USA, 114, 2017
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5YI1
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![BU of 5yi1 by Molmil](/molmil-images/mine/5yi1) | Structure of Lactococcus lactis ZitR, C30AH42A mutant in apo form | Descriptor: | Zinc transport transcriptional regulator | Authors: | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | Deposit date: | 2017-10-01 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation. Proc.Natl.Acad.Sci.USA, 114, 2017
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5YHZ
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![BU of 5yhz by Molmil](/molmil-images/mine/5yhz) | Structure of Lactococcus lactis ZitR, E41A mutant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ZINC ION, ... | Authors: | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | Deposit date: | 2017-10-01 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation. Proc.Natl.Acad.Sci.USA, 114, 2017
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5YI0
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![BU of 5yi0 by Molmil](/molmil-images/mine/5yi0) | Structure of Lactococcus lactis ZitR, C30AH42A mutant | Descriptor: | ZINC ION, Zinc transport transcriptional regulator | Authors: | Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P. | Deposit date: | 2017-10-01 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation. Proc.Natl.Acad.Sci.USA, 114, 2017
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7UIB
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![BU of 7uib by Molmil](/molmil-images/mine/7uib) | Crystal structure of BoNT/E receptor binding domain in complex with SV2, VHH, and sialic acid | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetyl-beta-neuraminic acid, ... | Authors: | Liu, Z, Jin, R, Chen, P. | Deposit date: | 2022-03-29 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2. Nat Commun, 14, 2023
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7UIA
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![BU of 7uia by Molmil](/molmil-images/mine/7uia) | Crystal structure of BoNT/E receptor binding domain in complex with SV2 and VHH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Liu, Z, Jin, R, Chen, P. | Deposit date: | 2022-03-28 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2. Nat Commun, 14, 2023
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6M40
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![BU of 6m40 by Molmil](/molmil-images/mine/6m40) | Crystal structure of the NS3-like helicase from Alongshan virus | Descriptor: | NS3-like protein | Authors: | Gao, X.P, Zhu, K.X, Chen, P, Wojdyla, J.A, Wang, M, Cui, S. | Deposit date: | 2020-03-05 | Release date: | 2020-04-08 | Last modified: | 2020-06-03 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Crystal structure of the NS3-like helicase from Alongshan virus. Iucrj, 7, 2020
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4H6J
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![BU of 4h6j by Molmil](/molmil-images/mine/4h6j) | Identification of Cys 255 in HIF-1 as a novel site for development of covalent inhibitors of HIF-1 /ARNT PasB domain protein-protein interaction. | Descriptor: | ARYL HYDROCARBON NUCLEAR TRANSLOCATOR, HYPOXIA INDUCIBLE FACTOR 1-ALPHA | Authors: | Cardoso, R, Love, R.A, Nilsson, C, Bergqvist, S, Nowlin, D, Yan, J, Liu, K, Zhu, J, Chen, P, Deng, Y.-L, Dyson, H.J, Greig, M.J, Brooun, A. | Deposit date: | 2012-09-19 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Identification of Cys255 in HIF-1 alpha as a novel site for development of covalent inhibitors of HIF-1 alpha /ARNT PasB domain protein-protein interaction. Protein Sci., 21, 2012
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7XCD
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![BU of 7xcd by Molmil](/molmil-images/mine/7xcd) | |
7WWW
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![BU of 7www by Molmil](/molmil-images/mine/7www) | |
7DH7
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![BU of 7dh7 by Molmil](/molmil-images/mine/7dh7) | Crystal structure of apo XcZur | Descriptor: | PHOSPHATE ION, Transcriptional regulator fur family, ZINC ION | Authors: | Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H. | Deposit date: | 2020-11-13 | Release date: | 2021-06-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator. Nucleic Acids Res., 49, 2021
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7DH8
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![BU of 7dh8 by Molmil](/molmil-images/mine/7dh8) | Crystal structure of holo XcZur | Descriptor: | Transcriptional regulator fur family, ZINC ION | Authors: | Liu, F.M, Su, Z.H, Chen, P, Tian, X.L, Wu, L.J, Tang, D.J, Li, P.F, Deng, H.T, Tang, J.L, Ming, Z.H. | Deposit date: | 2020-11-13 | Release date: | 2021-06-09 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for zinc-induced activation of a zinc uptake transcriptional regulator. Nucleic Acids Res., 49, 2021
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7BZG
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![BU of 7bzg by Molmil](/molmil-images/mine/7bzg) | Structure of Bacillus subtilis HxlR, wild type in complex with formaldehyde and DNA | Descriptor: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*AP*GP*TP*AP*TP*CP*CP*TP*CP*GP*AP*GP*GP*AP*TP*AP*CP*TP*G)-3'), ... | Authors: | Zhu, R, Chen, P.R. | Deposit date: | 2020-04-27 | Release date: | 2021-02-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction. Nat Commun, 12, 2021
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7COM
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![BU of 7com by Molmil](/molmil-images/mine/7com) | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | Descriptor: | 3C-like proteinase, boceprevir (bound form) | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | Deposit date: | 2020-08-04 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model. Science, 371, 2021
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7BZE
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![BU of 7bze by Molmil](/molmil-images/mine/7bze) | Structure of Bacillus subtilis HxlR, K13A mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, HTH-type transcriptional activator HxlR | Authors: | Zhu, R, Chen, P.R. | Deposit date: | 2020-04-27 | Release date: | 2021-02-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.658 Å) | Cite: | Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction. Nat Commun, 12, 2021
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7DPO
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![BU of 7dpo by Molmil](/molmil-images/mine/7dpo) | Crystal Structure of BRD2(BD2)with Ligand ZB-BD-224 bound | Descriptor: | 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2 | Authors: | Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B. | Deposit date: | 2020-12-21 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.29994035 Å) | Cite: | Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency To Be Published
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7DPN
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![BU of 7dpn by Molmil](/molmil-images/mine/7dpn) | Crystal structure of BRD2(BD1)with ligand ZB-BD-224 bound | Descriptor: | 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one, Bromodomain-containing protein 2 | Authors: | Li, Z, Lu, T, Chen, P, Luo, C, Zhou, B. | Deposit date: | 2020-12-20 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79998839 Å) | Cite: | Structure Base Design of A new chemotype of Four-Cycle Compounds as Bromodomain and Extra-Terminal (BET) Inhibitors with The Second Bromodomain Bias and Highly Anti-inflammatory Potency To Be Published
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7BZD
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![BU of 7bzd by Molmil](/molmil-images/mine/7bzd) | Structure of Bacillus subtilis HxlR, wild type | Descriptor: | HTH-type transcriptional activator HxlR | Authors: | Zhu, R, Chen, P.R. | Deposit date: | 2020-04-27 | Release date: | 2021-02-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.612 Å) | Cite: | Genetically encoded formaldehyde sensors inspired by a protein intra-helical crosslinking reaction. Nat Commun, 12, 2021
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1UVA
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![BU of 1uva by Molmil](/molmil-images/mine/1uva) | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza sativa | Descriptor: | MYRISTIC ACID, NONSPECIFIC LIPID TRANSFER PROTEIN 1 | Authors: | Cheng, H.-C, Cheng, P.-T, Peng, P, Lyu, P.-C, Sun, Y.-J. | Deposit date: | 2004-01-19 | Release date: | 2004-10-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza Sativa Protein Sci., 13, 2004
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1UVB
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![BU of 1uvb by Molmil](/molmil-images/mine/1uvb) | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza sativa | Descriptor: | NONSPECIFIC LIPID TRANSFER PROTEIN, PALMITOLEIC ACID | Authors: | Cheng, H.-C, Cheng, P.-T, Peng, P, Lyu, P.-C, Sun, Y.-J. | Deposit date: | 2004-01-19 | Release date: | 2004-10-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza Sativa Protein Sci., 13, 2004
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1UVC
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![BU of 1uvc by Molmil](/molmil-images/mine/1uvc) | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza sativa | Descriptor: | NONSPECIFIC LIPID TRANSFER PROTEIN, STEARIC ACID | Authors: | Cheng, H.-C, Cheng, P.-T, Peng, P, Lyu, P.-C, Sun, Y.-J. | Deposit date: | 2004-01-19 | Release date: | 2004-10-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Lipid Binding in Rice Nonspecific Lipid Transfer Protein-1 Complexes from Oryza Sativa Protein Sci., 13, 2004
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2WI1
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![BU of 2wi1 by Molmil](/molmil-images/mine/2wi1) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI5
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![BU of 2wi5 by Molmil](/molmil-images/mine/2wi5) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI3
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![BU of 2wi3 by Molmil](/molmil-images/mine/2wi3) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, HEAT SHOCK PROTEIN, HSP 90-ALPHA, ... | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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2WI7
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![BU of 2wi7 by Molmil](/molmil-images/mine/2wi7) | Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone | Descriptor: | 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M. | Deposit date: | 2009-05-08 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 52, 2009
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