6NYN
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![BU of 6nyn by Molmil](/molmil-images/mine/6nyn) | Helicobacter pylori Vacuolating Cytotoxin A Oligomeric Assembly 2e (OA-2e) | Descriptor: | Vacuolating cytotoxin autotransporter | Authors: | Zhang, K, Zhang, H, Li, S, Au, S, Chiu, W. | Deposit date: | 2019-02-11 | Release date: | 2019-03-27 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures ofHelicobacter pylorivacuolating cytotoxin A oligomeric assemblies at near-atomic resolution. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5JPP
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![BU of 5jpp by Molmil](/molmil-images/mine/5jpp) | Structure of limonene epoxide hydrolase mutant - H-2-H5 | Descriptor: | limonene epoxide hydrolase | Authors: | Li, G, Zhang, H, Sun, Z, Liu, X, Reetz, M.T. | Deposit date: | 2016-05-04 | Release date: | 2016-06-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Multi-Parameter Optimization in Directed Evolution: Engineering Thermostability, Enantioselectivity and Activity of an Epoxide Hydrolase To be published
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4E5P
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![BU of 4e5p by Molmil](/molmil-images/mine/4e5p) | |
4EBF
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![BU of 4ebf by Molmil](/molmil-images/mine/4ebf) | |
4E5K
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4E5N
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![BU of 4e5n by Molmil](/molmil-images/mine/4e5n) | Thermostable phosphite dehydrogenase in complex with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Thermostable phosphite dehydrogenase | Authors: | Zou, Y, Zhang, H, Nair, S.K. | Deposit date: | 2012-03-14 | Release date: | 2012-05-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration. Biochemistry, 51, 2012
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4E5M
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4CT1
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![BU of 4ct1 by Molmil](/molmil-images/mine/4ct1) | Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 Bound to the PIF-Pocket | Descriptor: | (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M. | Deposit date: | 2014-03-11 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound. Chem.Biol., 21, 2014
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4CT2
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![BU of 4ct2 by Molmil](/molmil-images/mine/4ct2) | Human PDK1-PKCzeta Kinase Chimera | Descriptor: | 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DITHIANE DIOL, ... | Authors: | Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M. | Deposit date: | 2014-03-11 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound. Chem.Biol., 21, 2014
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5V7R
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5V7U
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3UAS
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![BU of 3uas by Molmil](/molmil-images/mine/3uas) | Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F. | Deposit date: | 2011-10-21 | Release date: | 2013-01-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.939 Å) | Cite: | Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis. Biochemistry, 52, 2013
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5TSR
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8GNJ
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![BU of 8gnj by Molmil](/molmil-images/mine/8gnj) | Human SARM1 bounded with NMN and Nanobody-C6, Conformation 2 | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1, Nanobody-C6 | Authors: | Cai, Y, Zhang, H. | Deposit date: | 2022-08-24 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | A conformation-specific nanobody targeting the nicotinamide mononucleotide-activated state of SARM1. Nat Commun, 13, 2022
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8GNI
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![BU of 8gni by Molmil](/molmil-images/mine/8gni) | Human SARM1 bounded with NMN and Nanobody-C6, Conformation 1 | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1, Nanobody C6 | Authors: | Cai, Y, Zhang, H. | Deposit date: | 2022-08-24 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | A conformation-specific nanobody targeting the nicotinamide mononucleotide-activated state of SARM1. Nat Commun, 13, 2022
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8GQ5
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8GOT
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![BU of 8got by Molmil](/molmil-images/mine/8got) | Crystal structure of wild-type protease 3C from Seneca Valley Virus | Descriptor: | GLYCEROL, Peptidase C3, [(2~{S})-2-hexadecanoyloxy-3-[[(2~{R})-3-[[(2~{S})-3-[(5~{E},8~{E},11~{Z},14~{E})-icosa-5,8,11,14-tetraenoyl]oxy-2-[(9~{E},12~{Z})-octadeca-9,12-dienoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propyl] icosanoate | Authors: | Zhao, H.F, Zhang, H. | Deposit date: | 2022-08-25 | Release date: | 2023-05-24 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Allosteric regulation of Senecavirus A 3Cpro proteolytic activity by an endogenous phospholipid. Plos Pathog., 19, 2023
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8GPH
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2O2N
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![BU of 2o2n by Molmil](/molmil-images/mine/2o2n) | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | Descriptor: | 4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-X | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | Deposit date: | 2006-11-30 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL. J.Med.Chem., 50, 2007
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2O2F
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![BU of 2o2f by Molmil](/molmil-images/mine/2o2f) | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand | Descriptor: | 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-2 | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | Deposit date: | 2006-11-29 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL. J.Med.Chem., 50, 2007
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2O21
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![BU of 2o21 by Molmil](/molmil-images/mine/2o21) | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2 | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | Deposit date: | 2006-11-29 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL. J.Med.Chem., 50, 2007
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2O1Y
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![BU of 2o1y by Molmil](/molmil-images/mine/2o1y) | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-X | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | Deposit date: | 2006-11-29 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL. J.Med.Chem., 50, 2007
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2O22
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![BU of 2o22 by Molmil](/molmil-images/mine/2o22) | Solution structure of the anti-apoptotic protein Bcl-2 in complex with an acyl-sulfonamide-based ligand | Descriptor: | Apoptosis regulator Bcl-2, N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | Deposit date: | 2006-11-29 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL. J.Med.Chem., 50, 2007
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2O2M
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![BU of 2o2m by Molmil](/molmil-images/mine/2o2m) | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | Descriptor: | 4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE, Apoptosis regulator Bcl-X | Authors: | Bruncko, M, Oost, T.K, Belli, B.A, Ding, H, Joseph, M.K, Kunzer, A, Martineau, D, McClellan, W.J, Mitten, M, Ng, S.C, Nimmer, P.M, Oltersdorf, T, Park, C.M, Petros, A.M, Shoemaker, A.R, Song, X, Wang, X, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H, Elmore, S.W. | Deposit date: | 2006-11-30 | Release date: | 2007-02-27 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Studies Leading to Potent, Dual Inhibitors of Bcl-2 and Bcl-xL. J.Med.Chem., 50, 2007
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2KEB
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![BU of 2keb by Molmil](/molmil-images/mine/2keb) | NMR solution structure of the N-terminal domain of the DNA polymerase alpha p68 subunit | Descriptor: | DNA polymerase subunit alpha B | Authors: | Huang, H, Weiner, B.E, Zhang, H, Fuller, B.E, Gao, Y, Wile, B.M, Chazin, W.J, Fanning, E. | Deposit date: | 2009-01-28 | Release date: | 2010-02-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure of a DNA polymerase alpha-primase domain that docks on the SV40 helicase and activates the viral primosome. J.Biol.Chem., 285, 2010
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