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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
Descriptor: CHLORIDE ION, GLYCEROL, Probable enoyl-CoA hydratase/isomerase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-06-24
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, POTASSIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-02
Release date:2011-03-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: Fumarase Fum
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-13
Release date:2011-01-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: Enoyl-CoA hydratase, EchA8_6, FORMIC ACID
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-02-04
Release date:2011-03-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-06-12
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: ADENOSINE MONOPHOSPHATE, Putative uncharacterized protein
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-06-06
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
Authors:Feng, Y, Zhang, L.
Deposit date:2022-05-15
Release date:2022-11-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite: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
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
Authors:Feng, Y, Zhang, L.
Deposit date:2022-05-15
Release date:2022-11-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite: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
Descriptor: CHAT domain protein, RAMP superfamily protein, RNA (34-MER), ...
Authors:Feng, Y, Zhang, L.
Deposit date:2022-05-16
Release date:2022-11-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite: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
Descriptor: Solute carrier family 12 member 3
Authors:Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q.
Deposit date:2022-07-09
Release date:2022-11-23
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite: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
Descriptor: Solute carrier family 12 member 3
Authors:Nan, J, Yang, X.M, Shan, Z.Y, Yuan, Y.F, Zhang, Y.Q.
Deposit date:2022-07-09
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
Authors:Boraston, A.B.
Deposit date:2021-04-09
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
Authors:Boraston, A.B.
Deposit date:2021-04-09
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite: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
Descriptor: N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91
Authors: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)
Deposit date:2023-04-14
Release date:2023-07-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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
Descriptor: SdeA
Authors:Feng, Y, Dong, Y, Wang, W.
Deposit date:2017-10-05
Release date:2018-05-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.394 Å)
Cite: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
Descriptor: SdeA, ubiquitin
Authors:Feng, Y, Dong, Y, Liu, Z.
Deposit date:2017-10-05
Release date:2018-05-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.102 Å)
Cite: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
Descriptor: C-S Lyase Egt2, FORMIC ACID
Authors:Irani, S, Zhang, Y.
Deposit date:2017-02-15
Release date:2018-02-21
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.303 Å)
Cite: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
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Li, X.
Deposit date:2017-09-23
Release date:2018-09-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.177 Å)
Cite: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
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SdeA, Ubiquitin
Authors:Feng, Y, Mu, Y, Wang, H.
Deposit date:2017-10-05
Release date:2018-05-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.18 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91
Authors: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)
Deposit date:2023-06-12
Release date:2023-07-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Muckelbauer, J.K.
Deposit date:2016-08-18
Release date:2017-03-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: Butyrophilin subfamily 2 member A1, ZINC ION
Authors:Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
Deposit date:2023-02-21
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite: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
Descriptor: RAMP superfamily protein, RNA (35-MER), ZINC ION
Authors:Feng, Y, Zhang, L.
Deposit date:2022-05-15
Release date:2023-03-22
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite: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
Descriptor: BORIC ACID, COPPER (II) ION, Copper oxidase, ...
Authors:Wang, J.-X, Lu, Y.
Deposit date:2023-09-18
Release date:2023-11-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: BORIC ACID, COPPER (II) ION, Copper oxidase, ...
Authors:Wang, J.-X, Lu, Y.
Deposit date:2023-09-18
Release date:2023-11-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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数据于2024-10-09公开中

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