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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
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
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
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
8JFG
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BU of 8jfg by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFA
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BU of 8jfa by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADPH from Helicobacter pylori
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-17
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFH
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BU of 8jfh by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-octanoyl-ACP from Helicobacter pylori in an inactive form that priors the acyl substrate delivery
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JF9
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BU of 8jf9 by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG from Helicobacter pylori
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-17
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFI
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BU of 8jfi by Molmil
Crystal structure of 3-oxoacyl-ACP reductase FabG in complex with NADP+ and 3-keto-hexanoyl-ACP from Helicobacter pylori
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, Acyl carrier protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhou, J.S, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
4D5H
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BU of 4d5h by Molmil
Focal Adhesion Kinase catalytic domain
Descriptor: 6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one, FOCAL ADHESION KINASE 1, 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
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
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
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
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
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
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
8JFN
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BU of 8jfn by Molmil
Crystal structure of enoyl-ACP reductase FabI in complex with NAD+ and crotonyl-ACP from Helicobacter pylori
Descriptor: Acyl carrier protein, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Song, W.Y, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFM
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BU of 8jfm by Molmil
Crystal structure of enoyl-ACP reductase FabI in complex with NADH from Helicobacter pylori
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Song, W.Y, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JFJ
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BU of 8jfj by Molmil
Crystal structure of enoyl-ACP reductase FabI from Helicobacter pylori
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Song, W.Y, Zhang, L.
Deposit date:2023-05-18
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62, 2023
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
4XRO
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BU of 4xro by Molmil
Disulfide stabilized HIV-1 CA hexamer 4mut (S41A, Q67H, V165I, L172I)
Descriptor: Capsid protein p24
Authors:Price, A.J, James, L.C.
Deposit date:2015-01-21
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:HIV-1 Resistance to the Capsid-Targeting Inhibitor PF74 Results in Altered Dependence on Host Factors Required for Virus Nuclear Entry.
J.Virol., 89, 2015
4XRQ
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BU of 4xrq by Molmil
Disulfide stabilized HIV-1 CA hexamer 4mut (S41A, Q67H, V165I, L172I) in complex with PF-3450074
Descriptor: Capsid protein p24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
Authors:Price, A.J, James, L.C.
Deposit date:2015-01-21
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:HIV-1 Resistance to the Capsid-Targeting Inhibitor PF74 Results in Altered Dependence on Host Factors Required for Virus Nuclear Entry.
J.Virol., 89, 2015
7E1Q
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BU of 7e1q by Molmil
Crystal structure of dehydrogenase/isomerase FabX from Helicobacter pylori
Descriptor: 2-nitropropane dioxygenase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhou, J.S, Zhang, L, Zhang, L.
Deposit date:2021-02-03
Release date:2021-12-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Helicobacter pylori FabX contains a [4Fe-4S] cluster essential for unsaturated fatty acid synthesis.
Nat Commun, 12, 2021

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