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7EJJ
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BU of 7ejj by Molmil
Crystal structure of KRED F147L/L153Q/Y190P variant and methyl methacrylate complex
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:2021-04-02
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.80000663 Å)
Cite:Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
7EJI
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BU of 7eji by Molmil
Crystal structure of KRED F147L/L153Q/Y190P/L199A/M205F/M206F variant and methyl methacrylate complex
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-oxidanylisoindole-1,3-dione, ...
Authors:Cui, J, Huang, X, Wang, B, Zhao, H, Zhou, J.
Deposit date:2021-04-02
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.560016 Å)
Cite:Photoinduced chemomimetic biocatalysis for enantioselective intermolecular radical conjugate addition
Nat Catal, 2022
7E2M
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BU of 7e2m by Molmil
Crystal structure of the RWD domain of human GCN2 - 2
Descriptor: eIF-2-alpha kinase GCN2
Authors:Hei, Z, Zhou, J, Liu, Z, Wang, J, Fang, P.
Deposit date:2021-02-05
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures reveal a novel dimer of the RWD domain of human general control nonderepressible 2.
Biochem.Biophys.Res.Commun., 549, 2021
7E2K
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BU of 7e2k by Molmil
Crystal structure of the RWD domain of human GCN2 - 1
Descriptor: eIF-2-alpha kinase GCN2
Authors:Hei, Z, Zhou, J, Liu, Z, Wang, J, Fang, P.
Deposit date:2021-02-05
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:Crystal structures reveal a novel dimer of the RWD domain of human general control nonderepressible 2.
Biochem.Biophys.Res.Commun., 549, 2021
7EA9
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BU of 7ea9 by Molmil
Crystal Structure of human lysyl-tRNA synthetase Y145H mutant
Descriptor: 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, GLYCEROL, Lysine--tRNA ligase
Authors:Wu, S, Hei, Z, Zheng, L, Zhou, J, Liu, Z, Wang, J, Fang, P.
Deposit date:2021-03-06
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analyses of a human lysyl-tRNA synthetase mutant associated with autosomal recessive nonsyndromic hearing impairment.
Biochem.Biophys.Res.Commun., 554, 2021
7CVN
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BU of 7cvn by Molmil
The N-arylsulfonyl-indole-2-carboxamide-based inhibitors against fructose-1,6-bisphosphatase
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide, Fructose-1,6-bisphosphatase 1
Authors:Wang, X, Zhou, J, Xu, B.
Deposit date:2020-08-26
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Design,synthesis,biological evaluation and binding mode analysis of 7-nitro-indole-N-acylarylsulfonamide-based fructose-1,6-bisphosphatase inhibitors
Chinese journal of medicinal chemistry, 30, 2020
7VA1
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BU of 7va1 by Molmil
Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with GDD-04-35
Descriptor: 4-[(3-ethanoylphenyl)sulfamoyl]-~{N}-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide, D-3-phosphoglycerate dehydrogenase
Authors:Cen, Y, Gao, D, Zhou, J, Tian, P.
Deposit date:2021-08-27
Release date:2023-03-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with GDD-04-35
To Be Published
7XP9
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BU of 7xp9 by Molmil
Phytophthora infesfans RxLR effector AVRvnt1
Descriptor: RxLR effector protein Avr-vnt11
Authors:Xing, W, Hu, Q, Zhou, J, Yao, D.
Deposit date:2022-05-04
Release date:2023-06-07
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Chloroplast Protein GLYK Hijacked by Phytophthora Infestans Effector AVRvnt1 in Cytoplasm to Activate NLR
To Be Published
7XPC
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BU of 7xpc by Molmil
Complex structure of D-glycerate-3-kinase(GLYK) and AVRvnt1
Descriptor: D-glycerate-3-kinase (GLYK), RxLR effector protein Avr-vnt11
Authors:Hu, Q, Zhou, J, Yao, D, Xing, W.
Deposit date:2022-05-04
Release date:2023-06-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Chloroplast Protein GLYK Hijacked by Phytophthora Infestans Effector AVRvnt1 in Cytoplasm to Activate NLR
To Be Published
7C96
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BU of 7c96 by Molmil
Avr1d:GmPUB13 U-box
Descriptor: RING-type E3 ubiquitin transferase, RxLR effector protein Avh6
Authors:Xing, W, Hu, Q, Zhou, J, Yao, D.
Deposit date:2020-06-05
Release date:2021-03-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Phytophthora sojae effector Avr1d functions as an E2 competitor and inhibits ubiquitination activity of GmPUB13 to facilitate infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7EGV
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BU of 7egv by Molmil
Acetolactate Synthase from Trichoderma harzianum with inhibitor harzianic acid
Descriptor: (2S)-3-methyl-2-[[(2S,4R)-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid, 1,2-ETHANEDIOL, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ...
Authors:Zang, X, Xie, L, Chen, M, Tang, Y, Zhou, J.
Deposit date:2021-03-26
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase.
J.Am.Chem.Soc., 2021
7EHE
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BU of 7ehe by Molmil
Acetolactate Synthase from Trichoderma harzianum
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Zang, X, Tang, Y, Zhou, J.
Deposit date:2021-03-29
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase.
J.Am.Chem.Soc., 2021
7EEY
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BU of 7eey by Molmil
The structure of the N-terminal doamin of the Schizosaccharomyces pombe Tad2 adenosine deaminase
Descriptor: SULFATE ION, tRNA-specific adenosine deaminase subunit tad2
Authors:Xie, W, Liu, X, Zhou, J.
Deposit date:2021-03-19
Release date:2022-03-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional and structural investigation of N-terminal domain of the SpTad2/3 heterodimeric tRNA deaminase.
Comput Struct Biotechnol J, 19, 2021
7EZP
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BU of 7ezp by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2021-06-01
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
7EZR
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BU of 7ezr by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 5-ethyl-7-nitro-3-[3-oxidanylidene-3-(thiophen-2-ylsulfonylamino)propyl]-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2021-06-01
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
7EZF
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BU of 7ezf by Molmil
Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 7-chloranyl-5-ethyl-3-(3-hydroxy-3-oxopropyl)-1H-indole-2-carboxylic acid, Fructose-1,6-bisphosphatase 1
Authors:Wang, X.Y, Zhou, J, Xu, B.L.
Deposit date:2021-06-01
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.
Acs Med.Chem.Lett., 13, 2022
4D5K
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BU of 4d5k by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-11-05
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D4V
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BU of 4d4v by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: 6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline, DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE, ...
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-10-31
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D55
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BU of 4d55 by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: FOCAL ADHESION KINASE, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-11-03
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D58
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BU of 4d58 by Molmil
Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor
Descriptor: 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, FOCAL ADHESION KINASE, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-11-03
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D4Y
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BU of 4d4y by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE 1, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-10-31
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
4D4R
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BU of 4d4r by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: FOCAL ADHESION KINASE 1, SULFATE ION
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-10-31
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015
6KV2
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BU of 6kv2 by Molmil
Crystal structure of trypsin inhibitor 1 from Senna obtusifolia
Descriptor: Trypsin inhibitor 1
Authors:Liao, H, Yu, Y.
Deposit date:2019-09-03
Release date:2020-02-19
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural and functional relationship of Cassia obtusifolia trypsin inhibitor to understand its digestive resistance against Pieris rapae.
Int.J.Biol.Macromol., 148, 2020
3CXC
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BU of 3cxc by Molmil
The structure of an enhanced oxazolidinone inhibitor bound to the 50S ribosomal subunit of H. marismortui
Descriptor: (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide, 23S RIBOSOMAL RNA, 5'-R(*CP*CP*A)-3', ...
Authors:Ippolito, J.A, Wang, D, Kanyo, Z.F, Duffy, E.M.
Deposit date:2008-04-24
Release date:2009-04-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics.
Bioorg.Med.Chem.Lett., 18, 2008
4D4S
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BU of 4d4s by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE, DIMETHYL SULFOXIDE, FOCAL ADHESION KINASE 1, ...
Authors:Le Coq, J, Lin, A, Lietha, D.
Deposit date:2014-10-31
Release date:2015-02-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric Regulation of Focal Adhesion Kinase by Pip2 and ATP.
Biophys.J., 108, 2015

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数据于2024-11-06公开中

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