7X36
| Crystal Structure of hetero-Diels-Alderase EupfF | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhou, J, Lu, J. | Deposit date: | 2022-02-28 | Release date: | 2023-04-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Calcium-dependent glycosylated enzyme in the tandem hetero-Diels-Alder reaction To Be Published
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7E40
| Mechanism of Phosphate Sensing and Signaling Revealed by Rice SPX1-PHR2 Complex Structure | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 1,Endolysin | Authors: | Zhou, J, Hu, Q, Yao, D, Xing, W. | Deposit date: | 2021-02-09 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mechanism of phosphate sensing and signaling revealed by rice SPX1-PHR2 complex structure. Nat Commun, 12, 2021
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7ETR
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8JNY
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8JNZ
| Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor | Descriptor: | 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 1, processed C-terminus, ... | Authors: | Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L. | Deposit date: | 2023-06-06 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Human ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor To Be Published
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4FHZ
| Crystal structure of a carboxyl esterase at 2.0 angstrom resolution | Descriptor: | DI(HYDROXYETHYL)ETHER, Phospholipase/Carboxylesterase, SODIUM ION | Authors: | Wu, L, Ma, J, Zhou, J, Yu, H. | Deposit date: | 2012-06-07 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Enhanced enantioselectivity of a carboxyl esterase from Rhodobacter sphaeroides by directed evolution. Appl.Microbiol.Biotechnol., 97, 2013
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7SCP
| The crystal structure of ScoE in complex with intermediate | Descriptor: | (3R)-3-(oxaloamino)butanoic acid, 1,2-ETHANEDIOL, FE (II) ION, ... | Authors: | Cha, L, Chen, J, Zhou, J, Chang, W. | Deposit date: | 2021-09-28 | Release date: | 2022-03-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Deciphering the Reaction Pathway of Mononuclear Iron Enzyme-Catalyzed N-C Triple Bond Formation in Isocyanide Lipopeptide and Polyketide Biosynthesis Acs Catalysis, 12, 2022
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4MYD
| 1.37 Angstrom Crystal Structure of E. Coli 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase (MenH) in complex with SHCHC | Descriptor: | 2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID, 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase | Authors: | Sun, Y, Yin, S, Feng, Y, Li, J, Zhou, J, Liu, C, Zhu, G, Guo, Z. | Deposit date: | 2013-09-27 | Release date: | 2014-04-23 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.374 Å) | Cite: | Molecular basis of the general base catalysis of an alpha / beta-hydrolase catalytic triad. J.Biol.Chem., 289, 2014
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4MXD
| 1.45 angstronm crystal structure of E.coli 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase (MenH) | Descriptor: | 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Sun, Y, Yin, S, Feng, Y, Li, J, Zhou, J, Liu, C, Zhu, G, Guo, Z. | Deposit date: | 2013-09-26 | Release date: | 2014-04-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Molecular basis of the general base catalysis of an alpha / beta-hydrolase catalytic triad. J.Biol.Chem., 289, 2014
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4N4F
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4XBX
| Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH | Descriptor: | Limonene-1,2-epoxide hydrolase | Authors: | Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J. | Deposit date: | 2014-12-17 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution Angew.Chem.Int.Ed.Engl., 54, 2015
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4XBT
| Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH complexed with (S,S)-cyclohexanediol | Descriptor: | (1S,2S)-cyclohexane-1,2-diol, CITRATE ANION, Limonene-1,2-epoxide hydrolase | Authors: | Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J. | Deposit date: | 2014-12-17 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution Angew.Chem.Int.Ed.Engl., 54, 2015
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4XDV
| Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclohexanediol | Descriptor: | (1R,2R)-cyclohexane-1,2-diol, Limonene-1,2-epoxide hydrolase | Authors: | Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J. | Deposit date: | 2014-12-20 | Release date: | 2015-07-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution Angew.Chem.Int.Ed.Engl., 54, 2015
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4XBY
| Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide | Descriptor: | (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase | Authors: | Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J. | Deposit date: | 2014-12-17 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution Angew.Chem.Int.Ed.Engl., 54, 2015
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4XDW
| Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH | Descriptor: | Limonene-1,2-epoxide hydrolase | Authors: | Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J. | Deposit date: | 2014-12-20 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution Angew.Chem.Int.Ed.Engl., 54, 2015
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8HL2
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8HL5
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8HL4
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5WS0
| Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor | Descriptor: | 2-piperazin-1-ylcarbonyl-1H-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1 | Authors: | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | Deposit date: | 2016-12-04 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor To Be Published
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7YSK
| Crystal structure of D-Cysteine desulfhydrase from Pectobacterium atrosepticum | Descriptor: | D-Cysteine desulfhydrase | Authors: | Zhang, X, Wang, L, Xu, X, Xing, X, Zhou, J. | Deposit date: | 2022-08-12 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization and structural basis of D-cysteine desulfhydrase from Pectobacterium atrosepticum Tetrahedron, 2022
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7YSL
| Crystal structure of D-Cysteine desulfhydrase with a trapped PLP-pyruvate geminal diamine | Descriptor: | 1,2-ETHANEDIOL, D-Cysteine desulfhydrase, FORMIC ACID | Authors: | Zhang, X, Wang, L, Xu, X, Xing, X, Zhou, J. | Deposit date: | 2022-08-12 | Release date: | 2022-12-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Characterization and structural basis of D-cysteine desulfhydrase from Pectobacterium atrosepticum Tetrahedron, 2022
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8HE7
| ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | Descriptor: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1, processed C-terminus, ... | Authors: | Wang, X.Y, Zhou, J, Xu, B.L. | Deposit date: | 2022-11-07 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis. J.Med.Chem., 66, 2023
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8HE8
| Human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | Descriptor: | 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, GLYCEROL, Poly [ADP-ribose] polymerase 2 | Authors: | Wang, X.Y, Xu, B.L, Zhou, J. | Deposit date: | 2022-11-07 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis. J.Med.Chem., 66, 2023
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8WQ2
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8WQ4
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