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3SLL
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BU of 3sll by Molmil
Crystal structure of a probable enoyl-CoA hydratase/isomerase from Mycobacterium abscessus
分子名称: CHLORIDE ION, GLYCEROL, Probable enoyl-CoA hydratase/isomerase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-06-24
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3QXZ
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BU of 3qxz by Molmil
Crystal structure of a probable enoyl-CoA hydratase/isomerase from Mycobacterium abscessus
分子名称: 1,2-ETHANEDIOL, GLYCEROL, POTASSIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-03-02
公開日2011-03-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3QBP
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BU of 3qbp by Molmil
Crystal structure of fumarase Fum from Mycobacterium marinum
分子名称: Fumarase Fum
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-01-13
公開日2011-01-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3QMJ
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BU of 3qmj by Molmil
Crystal structure of Enoyl-CoA hydratase EchA8_6 from Mycobacterium marinum
分子名称: Enoyl-CoA hydratase, EchA8_6, FORMIC ACID
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-02-04
公開日2011-03-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3SF6
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BU of 3sf6 by Molmil
Crystal structure of Glutaryl-CoA dehydrogenase from Mycobacterium smegmatis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-06-12
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3SBX
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BU of 3sbx by Molmil
Crystal structure of a putative uncharacterized protein from Mycobacterium marinum bound to adenosine 5'-monophosphate AMP
分子名称: ADENOSINE MONOPHOSPHATE, Putative uncharacterized protein
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-06-06
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
7XSR
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BU of 7xsr by Molmil
Structure of Craspase-target RNA
分子名称: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
著者Feng, Y, Zhang, L.
登録日2022-05-15
公開日2022-11-09
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
7XSQ
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BU of 7xsq by Molmil
Structure of the Craspase
分子名称: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
著者Feng, Y, Zhang, L.
登録日2022-05-15
公開日2022-11-09
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
7XT4
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BU of 7xt4 by Molmil
Structure of Craspase-NTR
分子名称: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
著者Feng, Y, Zhang, L.
登録日2022-05-16
公開日2022-11-09
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
7YG1
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BU of 7yg1 by Molmil
Cryo-EM structure of the C-terminal domain of the human sodium-chloride cotransporter
分子名称: Solute carrier family 12 member 3
著者Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q.
登録日2022-07-09
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
7YG0
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BU of 7yg0 by Molmil
Cryo-EM structure of human sodium-chloride cotransporter
分子名称: Solute carrier family 12 member 3
著者Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q.
登録日2022-07-09
公開日2022-11-23
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Cryo-EM structure of the human sodium-chloride cotransporter NCC.
Sci Adv, 8, 2022
7MFL
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BU of 7mfl by Molmil
Structure of the Clostridium perfringens GH89 in complex with beta-HNJNAc
分子名称: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
著者Boraston, A.B.
登録日2021-04-09
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
7MFK
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BU of 7mfk by Molmil
Structure of the Clostridium perfringens GH89 in complex with alpha-HNJNAc
分子名称: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
著者Boraston, A.B.
登録日2021-04-09
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
8SHJ
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BU of 8shj by Molmil
Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279
分子名称: N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91
著者Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-04-14
公開日2023-07-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
5YIM
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BU of 5yim by Molmil
Structure of a Legionella effector
分子名称: SdeA
著者Feng, Y, Dong, Y, Wang, W.
登録日2017-10-05
公開日2018-05-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.394 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
5YIK
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BU of 5yik by Molmil
Structure of a Legionella effector with its substrate
分子名称: SdeA, ubiquitin
著者Feng, Y, Dong, Y, Liu, Z.
登録日2017-10-05
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
5UTS
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BU of 5uts by Molmil
Carbon Sulfoxide lyase, Egt2 in the Ergothioneine biosynthesis pathway
分子名称: C-S Lyase Egt2, FORMIC ACID
著者Irani, S, Zhang, Y.
登録日2017-02-15
公開日2018-02-21
最終更新日2019-03-20
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
5YGI
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BU of 5ygi by Molmil
Crystal structure of human FPPS in complex with an inhibitor THZ93
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Li, X.
登録日2017-09-23
公開日2018-09-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.177 Å)
主引用文献The Mevalonate Pathway Is a Druggable Target for Vaccine Adjuvant Discovery.
Cell, 175, 2018
5YIJ
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BU of 5yij by Molmil
Structure of a Legionella effector with substrates
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SdeA, Ubiquitin
著者Feng, Y, Mu, Y, Wang, H.
登録日2017-10-05
公開日2018-05-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Structural basis of ubiquitin modification by the Legionella effector SdeA.
Nature, 557, 2018
8T55
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BU of 8t55 by Molmil
Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
分子名称: 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91
著者Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-06-12
公開日2023-07-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
5T18
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BU of 5t18 by Molmil
Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide
分子名称: 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK
著者Muckelbauer, J.K.
登録日2016-08-18
公開日2017-03-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers.
J. Med. Chem., 59, 2016
8IGT
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BU of 8igt by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN2A1
分子名称: Butyrophilin subfamily 2 member A1, ZINC ION
著者Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2023-02-21
公開日2023-09-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
7XSO
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BU of 7xso by Molmil
Structure of the type III-E CRISPR-Cas effector gRAMP
分子名称: RAMP superfamily protein, RNA (35-MER), ZINC ION
著者Feng, Y, Zhang, L.
登録日2022-05-15
公開日2023-03-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Target RNA activates the protease activity of Craspase to confer antiviral defense.
Mol.Cell, 82, 2022
8U8Q
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BU of 8u8q by Molmil
V290N/S292F Streptomyces coelicolor Laccase
分子名称: BORIC ACID, COPPER (II) ION, Copper oxidase, ...
著者Wang, J.-X, Lu, Y.
登録日2023-09-18
公開日2023-11-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations.
Angew.Chem.Int.Ed.Engl., 62, 2023
8U8P
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BU of 8u8p by Molmil
S292F Streptomyces coelicolor Laccase
分子名称: BORIC ACID, COPPER (II) ION, Copper oxidase, ...
著者Wang, J.-X, Lu, Y.
登録日2023-09-18
公開日2023-11-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Increasing Reduction Potentials of Type 1 Copper Center and Catalytic Efficiency of Small Laccase from Streptomyces coelicolor through Secondary Coordination Sphere Mutations.
Angew.Chem.Int.Ed.Engl., 62, 2023

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