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PDB: 423 results

4HP5
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BU of 4hp5 by Molmil
The crystal structure of isomaltulose synthase mutant E295A from Erwinia rhapontici NX5 in complex with D-glucose
Descriptor: CALCIUM ION, GLYCEROL, Sucrose isomerase, ...
Authors:Xu, Z, Li, S, Xu, H, Zhou, J.
Deposit date:2012-10-23
Release date:2013-11-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of isomaltulose synthase mutant E295A from Erwinia rhapontici NX5 in complex with D-glucose
to be published
7DL1
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BU of 7dl1 by Molmil
The mutant E310G/G323S structure of 3,5-DAHDHcca complex with NADPH
Descriptor: 3,5-diaminohexanoate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Liu, N, Wu, L, Zhu, D.M, Zhou, J.H.
Deposit date:2020-11-25
Release date:2021-09-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal Structures and Catalytic Mechanism of l-erythro-3,5-Diaminohexanoate Dehydrogenase and Rational Engineering for Asymmetric Synthesis of beta-Amino Acids.
Angew.Chem.Int.Ed.Engl., 60, 2021
7WVS
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BU of 7wvs by Molmil
The structure of FinI complex with SAM
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Methyltransf_2 domain-containing protein, ...
Authors:Lu, J, Zhou, J.
Deposit date:2022-02-11
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The structure of FinI complex with SAM
To Be Published
7C3V
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BU of 7c3v by Molmil
Structure of a thermostable Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH)
Descriptor: Alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Dai, W, Ni, Y, Xu, G, Liu, Y, Wang, Y, Zhou, J.
Deposit date:2020-05-14
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.20042944 Å)
Cite:Structure of a thermostable Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH)
To Be Published
5GCN
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BU of 5gcn by Molmil
CATALYTIC DOMAIN OF TETRAHYMENA GCN5 HISTONE ACETYLTRANSFERASE IN COMPLEX WITH COENZYME A
Descriptor: COENZYME A, HISTONE ACETYLTRANSFERASE GCN5
Authors:Lin, Y, Fletcher, C.M, Zhou, J, Allis, C.D, Wagner, G.
Deposit date:1999-03-24
Release date:1999-07-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the catalytic domain of GCN5 histone acetyltransferase bound to coenzyme A
Nature, 400, 1999
5GKW
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BU of 5gkw by Molmil
crystal structure of SZ529 complex with (R,R)-cyclopentanediol
Descriptor: (1~{R},2~{R})-cyclopentane-1,2-diol, Limonene-1,2-epoxide hydrolase
Authors:Wu, L, Sun, Z.T, Reetz, M.T, Zhou, J.H.
Deposit date:2016-07-07
Release date:2017-07-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:crystal structure of SZ529 complex with (R,R)-cyclopentanediol
To Be Published
5H2T
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BU of 5h2t by Molmil
Structure of trehalose synthase
Descriptor: Trehalose synthase
Authors:Wang, D, Huang, H, Zhou, J, Jiang, L.
Deposit date:2016-10-18
Release date:2017-10-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:Structure of trehalose synthase
To Be Published
5HSI
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BU of 5hsi by Molmil
Crystal structure of tyrosine decarboxylase at 1.73 Angstroms resolution
Descriptor: MAGNESIUM ION, Putative decarboxylase
Authors:Ni, Y, Zhou, J, Zhu, H, Zhang, K.
Deposit date:2016-01-25
Release date:2016-09-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.732 Å)
Cite:Crystal structure of tyrosine decarboxylase and identification of key residues involved in conformational swing and substrate binding
Sci Rep, 6, 2016
6ISP
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BU of 6isp by Molmil
structure of Candida antarctica Lipase B mutant
Descriptor: CALCIUM ION, Lipase B, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
Authors:Cen, Y.X, Zhou, J.H, Wu, Q.
Deposit date:2018-11-18
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
6KTW
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BU of 6ktw by Molmil
structure of EanB with hercynine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-29
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.931 Å)
Cite:Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KU2
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BU of 6ku2 by Molmil
The structure of EanB/Y353A complex with ergothioneine covalent linked with persulfide Cys412
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-30
Release date:2020-08-26
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KTZ
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BU of 6ktz by Molmil
The complex structure of EanB/C412S with hercynine
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-29
Release date:2020-08-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KTV
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BU of 6ktv by Molmil
The structure of EanB complex with hercynine and persulfided Cys412
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-29
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KTX
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BU of 6ktx by Molmil
The wildtype structure of EanB
Descriptor: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-29
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.189 Å)
Cite:Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KU1
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BU of 6ku1 by Molmil
The structure of EanB/Y353A complex with ergothioneine
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Wu, L, Liu, P.H, Zhou, J.H.
Deposit date:2019-08-30
Release date:2020-08-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6LW2
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BU of 6lw2 by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
Descriptor: 7-chloranyl-4-[(3-methoxyphenyl)amino]-N-(4-methoxyphenyl)sulfonyl-1-methyl-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2020-02-07
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of N -Arylsulfonyl-Indole-2-Carboxamide Derivatives as Potent, Selective, and Orally Bioavailable Fructose-1,6-Bisphosphatase Inhibitors-Design, Synthesis, In Vivo Glucose Lowering Effects, and X-ray Crystal Complex Analysis.
J.Med.Chem., 63, 2020
6LY4
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BU of 6ly4 by Molmil
The crystal structure of the BM3 mutant LG-23 in complex with testosterone
Descriptor: 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, ...
Authors:Peng, Y, Chen, J, Zhou, J, Li, A, ReetZ, M.T.
Deposit date:2020-02-13
Release date:2020-04-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants.
Angew.Chem.Int.Ed.Engl., 59, 2020
6KBH
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BU of 6kbh by Molmil
Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase
Descriptor: Cytochrome P450 monooxygenase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Gong, R, Wu, L.J, Zhang, Y, Liu, Z, Dou, S, Zhang, R.G, Xu, J.H, Tang, C, Zhou, J.H.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase
To Be Published
7D78
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BU of 7d78 by Molmil
The structure of thioesterase DcsB
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ...
Authors:Tang, Y, Zhou, J.H, Wang, G.Q.
Deposit date:2020-10-03
Release date:2021-01-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.96543121 Å)
Cite:A Polyketide Cyclase That Forms Medium-Ring Lactones.
J.Am.Chem.Soc., 143, 2021
7D79
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BU of 7d79 by Molmil
The structure of DcsB complex with its substrate analogue
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ...
Authors:Tang, Y, Zhou, J.H, Wang, G.Q.
Deposit date:2020-10-03
Release date:2021-01-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.10411429 Å)
Cite:A Polyketide Cyclase That Forms Medium-Ring Lactones.
J.Am.Chem.Soc., 143, 2021
7VDO
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BU of 7vdo by Molmil
Crystal structure of KRED F147L/L153Q/Y190P variant
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, ...
Authors:Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
Deposit date:2021-09-07
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85571563 Å)
Cite:Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
7VE7
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BU of 7ve7 by Molmil
Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F
Descriptor: 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
Deposit date:2021-09-08
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.720007 Å)
Cite:Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
8HLJ
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BU of 8hlj by Molmil
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Olaparib (AZD2281)
Descriptor: 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, Poly [ADP-ribose] polymerase 2
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2022-11-30
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Olaparib (AZD2281)
To Be Published
8HLQ
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BU of 8hlq by Molmil
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Niraparib (MK-4827)
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, GLYCEROL, Poly [ADP-ribose] polymerase 2
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2022-11-30
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Niraparib (MK-4827)
To Be Published
8HKN
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BU of 8hkn by Molmil
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to approved drug Fluzoparib
Descriptor: Fluzoparib, GLYCEROL, Poly [ADP-ribose] polymerase 2
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2022-11-27
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to approved drug Fluzoparib
To Be Published

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