6DIF
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![BU of 6dif by Molmil](/molmil-images/mine/6dif) | Wild-type HIV-1 protease in complex with tipranavir | Descriptor: | CHLORIDE ION, GLYCEROL, HIV-1 protease, ... | Authors: | Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. | Deposit date: | 2018-05-23 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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6DIL
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![BU of 6dil by Molmil](/molmil-images/mine/6dil) | HIV-1 protease with single mutation L76V in complex with tipranavir | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Wong-Sam, A.E, Wang, Y.-F, Weber, I.T. | Deposit date: | 2018-05-23 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.482 Å) | Cite: | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease. ACS Omega, 3, 2018
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5XU7
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![BU of 5xu7 by Molmil](/molmil-images/mine/5xu7) | Crystal structure of Escherichia coli holo-[acyl-carrier-protein] synthase (AcpS) | Descriptor: | CHLORIDE ION, GLYCEROL, Holo-[acyl-carrier-protein] synthase | Authors: | Liao, Y.P, Wang, D.L, Yin, D.P, Zhang, Q.Y, Wang, Y.M, Wang, D.Q, Zhu, H.X, Chen, S. | Deposit date: | 2017-06-22 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structures of acyl carrier protein synthases (AcpS) from three Gram-negative bacteria To Be Published
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8F4O
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![BU of 8f4o by Molmil](/molmil-images/mine/8f4o) | Apo structure of the TPP riboswitch aptamer domain | Descriptor: | IRIDIUM HEXAMMINE ION, TETRAETHYLENE GLYCOL, TPP riboswitch aptamer domain, ... | Authors: | Lee, H.-K, Wang, Y.-X, Stagno, J.R. | Deposit date: | 2022-11-11 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of Escherichia coli thiamine pyrophosphate-sensing riboswitch in the apo state. Structure, 31, 2023
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3MBR
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![BU of 3mbr by Molmil](/molmil-images/mine/3mbr) | Crystal Structure of the Glutaminyl Cyclase from Xanthomonas campestris | Descriptor: | CALCIUM ION, Glutamine cyclotransferase | Authors: | Huang, W.-L, Wang, Y.-R, Ko, T.-P, Chia, C.-Y, Huang, K.-F, Wang, A.H.-J. | Deposit date: | 2010-03-25 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Crystal structure and functional analysis of the glutaminyl cyclase from Xanthomonas campestris J.Mol.Biol., 401, 2010
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5XUH
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![BU of 5xuh by Molmil](/molmil-images/mine/5xuh) | Crystal structure of Escherichia coli holo-[acyl-carrier-protein] synthase (AcpS) D9A mutant in complex with CoA | Descriptor: | CHLORIDE ION, COENZYME A, GLYCEROL, ... | Authors: | Liao, Y.P, Wang, D.L, Yin, D.P, Zhang, Q.Y, Wang, Y.M, Wang, D.Q, Zhu, H.X, Chen, S. | Deposit date: | 2017-06-23 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Crystal structures of acyl carrier protein synthases (AcpS) from three Gram-negative bacteria To Be Published
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6VWV
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![BU of 6vwv by Molmil](/molmil-images/mine/6vwv) | |
5DQU
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![BU of 5dqu by Molmil](/molmil-images/mine/5dqu) | Crystal Structure of Cas-DNA-10 complex | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (5'-D(*GP*AP*GP*TP*CP*GP*AP*TP*GP*CP*TP*TP*TP*TP*T)-3'), ... | Authors: | Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y. | Deposit date: | 2015-09-15 | Release date: | 2015-11-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems. Cell, 163, 2015
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6N47
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![BU of 6n47 by Molmil](/molmil-images/mine/6n47) | The structure of SB-2-204-tubulin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W. | Deposit date: | 2018-11-17 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors. Acs Chem.Biol., 14, 2019
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5DQT
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![BU of 5dqt by Molmil](/molmil-images/mine/5dqt) | Crystal Structure of Cas-DNA-22 complex | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (33-MER), ... | Authors: | Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y. | Deposit date: | 2015-09-15 | Release date: | 2015-11-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems. Cell, 163, 2015
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8J17
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![BU of 8j17 by Molmil](/molmil-images/mine/8j17) | Crystal structure of IsPETase variant | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Yin, Q.D, Wang, Y.X. | Deposit date: | 2023-04-12 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Efficient polyethylene terephthalate biodegradation by an engineered Ideonella sakaiensis PETase with a fixed substrate-binding W156 residue Green Chem, 2013
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1U9U
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![BU of 1u9u by Molmil](/molmil-images/mine/1u9u) | Crystal structure of F58Y mutant of cytochrome b5 | Descriptor: | Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shan, L, Lu, J.-X, Gan, J.-H, Wang, Y.-H, Huang, Z.-X, Xia, Z.-X. | Deposit date: | 2004-08-11 | Release date: | 2005-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure of the F58W mutant of cytochrome b5: the mutation leads to multiple conformations and weakens stacking interactions. Acta Crystallogr.,Sect.D, 61, 2005
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6X2Q
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![BU of 6x2q by Molmil](/molmil-images/mine/6x2q) | Complex of Gynuella sunshinyii GH46 chitosanase GsCsn46A with chitotetraose | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Chitosanase | Authors: | Qin, Z, Wang, Y. | Deposit date: | 2020-05-20 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Complex of Gynuella sunshinyii GH46 chitosanase GsCsn46A with chitotetraose To Be Published
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8KE2
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![BU of 8ke2 by Molmil](/molmil-images/mine/8ke2) | PylRS C-terminus domain mutant bound with L-3-trifluoromethylphenylalanine and AMPNP | Descriptor: | (2S)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | Deposit date: | 2023-08-11 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.19639969 Å) | Cite: | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids. Front Genet, 14, 2023
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8KE3
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![BU of 8ke3 by Molmil](/molmil-images/mine/8ke3) | PylRS C-terminus domain mutant bound with D-3-trifluoromethylphenylalanine and AMPNP | Descriptor: | (2R)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | Deposit date: | 2023-08-11 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.89980984 Å) | Cite: | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids. Front Genet, 14, 2023
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8KE5
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![BU of 8ke5 by Molmil](/molmil-images/mine/8ke5) | PylRS C-terminus domain mutant bound with D-3-chlorophenylalanine and AMPNP | Descriptor: | (2R)-2-azanyl-3-(3-chlorophenyl)propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | Deposit date: | 2023-08-11 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.900073 Å) | Cite: | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids. Front Genet, 14, 2023
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8KE6
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![BU of 8ke6 by Molmil](/molmil-images/mine/8ke6) | PylRS C-terminus domain mutant bound with L-3-chlorophenylalanine and AMPNP | Descriptor: | 3-CHLORO-L-PHENYLALANINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | Deposit date: | 2023-08-11 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.89570856 Å) | Cite: | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids. Front Genet, 14, 2023
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8KE1
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![BU of 8ke1 by Molmil](/molmil-images/mine/8ke1) | PylRS C-terminus domain mutant bound with L-3-bromophenylalanine and AMPNP | Descriptor: | 3-bromo-L-phenylalanine, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | Deposit date: | 2023-08-11 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.50081539 Å) | Cite: | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids. Front Genet, 14, 2023
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8KE4
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![BU of 8ke4 by Molmil](/molmil-images/mine/8ke4) | PylRS C-terminus domain mutant bound with D-3-bromophenylalanine and AMPNP | Descriptor: | (2R)-2-azanyl-3-(3-bromophenyl)propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | Deposit date: | 2023-08-11 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75050962 Å) | Cite: | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids. Front Genet, 14, 2023
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4N9E
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![BU of 4n9e by Molmil](/molmil-images/mine/4n9e) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, 1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
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8DOF
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![BU of 8dof by Molmil](/molmil-images/mine/8dof) | Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044 | Descriptor: | (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]ethan-1-ol, 1,2-ETHANEDIOL, SULFATE ION, ... | Authors: | Horanyi, P.S, Wang, Y, Todd, M.H, Abendroth, J, Edwards, T, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-07-13 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044 To Be Published
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8HNW
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![BU of 8hnw by Molmil](/molmil-images/mine/8hnw) | Crystal structure of HpaCas9-sgRNA surveillance complex bound to double-stranded DNA | Descriptor: | CRISPR-associated endonuclease Cas9, Non-target strand, Target strand, ... | Authors: | Sun, W, Cheng, Z, Wang, Y. | Deposit date: | 2022-12-08 | Release date: | 2023-07-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation. Proc.Natl.Acad.Sci.USA, 120, 2023
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5DLJ
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![BU of 5dlj by Molmil](/molmil-images/mine/5dlj) | Crystal Structure of Cas-DNA-N1 complex | Descriptor: | 39-mer DNA N1-F, 39-mer DNA N1-R, CRISPR-associated endonuclease Cas1, ... | Authors: | Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y. | Deposit date: | 2015-09-05 | Release date: | 2015-11-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems. Cell, 163, 2015
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5DQZ
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![BU of 5dqz by Molmil](/molmil-images/mine/5dqz) | Crystal Structure of Cas-DNA-PAM complex | Descriptor: | CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, DNA (36-MER), ... | Authors: | Wang, J, Li, J, Zhao, H, Sheng, G, Wang, M, Yin, M, Wang, Y. | Deposit date: | 2015-09-15 | Release date: | 2015-11-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Mechanistic Basis of PAM-Dependent Spacer Acquisition in CRISPR-Cas Systems. Cell, 163, 2015
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2PL5
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![BU of 2pl5 by Molmil](/molmil-images/mine/2pl5) | Crystal Structure of Homoserine O-acetyltransferase from Leptospira interrogans | Descriptor: | GLYCEROL, Homoserine O-acetyltransferase | Authors: | Liu, L, Wang, M, Wang, Y, Wei, Z, Xu, H, Gong, W. | Deposit date: | 2007-04-19 | Release date: | 2007-11-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of homoserine O-acetyltransferase from Leptospira interrogans Biochem.Biophys.Res.Commun., 363, 2007
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