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7EQI
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BU of 7eqi by Molmil
ChlB3 [Aceyltransferase]
Descriptor: ChlB3
Authors:Saeed, A.U, Zheng, J.
Deposit date:2021-05-02
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Insight of KSIII ( beta-Ketoacyl-ACP Synthase)-like Acyltransferase ChlB3 in the Biosynthesis of Chlorothricin.
Molecules, 27, 2022
8XAR
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BU of 8xar by Molmil
Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 54
Descriptor: 1,2-ETHANEDIOL, 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ...
Authors:Zheng, J.Y, Zhang, G.P, Li, J.J, Tong, S.L.
Deposit date:2023-12-05
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
8XB0
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BU of 8xb0 by Molmil
Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292
Descriptor: 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ...
Authors:Tong, S.L, Zhang, G.P.
Deposit date:2023-12-05
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
8JOV
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BU of 8jov by Molmil
Portal-tail complex of phage GP4
Descriptor: Portal protein, Putative tail fiber protein, Virion associated protein, ...
Authors:Liu, H, Chen, W.
Deposit date:2023-06-08
Release date:2023-11-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Asymmetric Structure of Podophage GP4 Reveals a Novel Architecture of Three Types of Tail Fibers.
J.Mol.Biol., 435, 2023
8JOU
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BU of 8jou by Molmil
Fiber I and fiber-tail-adaptor of phage GP4
Descriptor: Virion-associated phage protein, rope protein of phage GP4
Authors:Liu, H, Chen, W.
Deposit date:2023-06-08
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Asymmetric Structure of Podophage GP4 Reveals a Novel Architecture of Three Types of Tail Fibers.
J.Mol.Biol., 435, 2023
8H89
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BU of 8h89 by Molmil
Capsid of Ralstonia phage GP4
Descriptor: Major capsid protein, Virion associated protein
Authors:Liu, H.R, Chen, W.Y.
Deposit date:2022-10-22
Release date:2022-11-16
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A Capsid Structure of Ralstonia solanacearum podoviridae GP4 with a Triangulation Number T = 9.
Viruses, 14, 2022
6NKO
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BU of 6nko by Molmil
Crystal structure of ForH
Descriptor: ForH
Authors:Zheng, J, Irani, S, Zhang, Y.
Deposit date:2019-01-07
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.403 Å)
Cite:Identification of the Formycin A Biosynthetic Gene Cluster from Streptomyces kaniharaensis Illustrates the Interplay between Biological Pyrazolopyrimidine Formation and de Novo Purine Biosynthesis.
J. Am. Chem. Soc., 141, 2019
5V39
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BU of 5v39 by Molmil
Crystal structure of human vitamin D receptor ligand binding domain in complex with a VDRM
Descriptor: 5-(3-{4-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-3-methyl-N-(1H-tetrazol-5-yl)thiophene-2-carboxamide, Vitamin D3 receptor
Authors:Wang, Y, Pelletier, L.
Deposit date:2017-03-06
Release date:2018-03-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:HDX reveals the conformational dynamics of DNA sequence specific VDR co-activator interactions.
Nat Commun, 8, 2017
3DVB
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BU of 3dvb by Molmil
X-ray crystal structure of mutant N62V human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Avvaru, B.S.
Deposit date:2008-07-18
Release date:2008-11-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II.
Biochemistry, 47, 2008
3DVC
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BU of 3dvc by Molmil
X-ray crystal structure of mutant N62T of human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Avvaru, B.S.
Deposit date:2008-07-18
Release date:2008-11-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II.
Biochemistry, 47, 2008
3DV7
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BU of 3dv7 by Molmil
Role of Hydrophilic Residues in Proton Transfer During Catalysis by Human Carbonic Anhydrase II (N62A)
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Avvaru, B.S.
Deposit date:2008-07-18
Release date:2008-11-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II.
Biochemistry, 47, 2008
3DVD
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BU of 3dvd by Molmil
X-ray crystal structure of mutant N62D of human Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Avvaru, B.S.
Deposit date:2008-07-18
Release date:2008-11-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Role of hydrophilic residues in proton transfer during catalysis by human carbonic anhydrase II.
Biochemistry, 47, 2008
7SLQ
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BU of 7slq by Molmil
Cryo-EM structure of 7SK core RNP with circular RNA
Descriptor: 7SK snRNA methylphosphate capping enzyme, La-related protein 7, Minimal circular 7SK RNA, ...
Authors:Yang, Y, Liu, S, Zhou, Z.H, Feigon, J.
Deposit date:2021-10-24
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural basis of RNA conformational switching in the transcriptional regulator 7SK RNP.
Mol.Cell, 82, 2022
7SLP
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BU of 7slp by Molmil
Cryo-EM structure of 7SK core RNP with linear RNA
Descriptor: 7SK snRNA methylphosphate capping enzyme, La-related protein 7, Linear 7SK RNA, ...
Authors:Yang, Y, Liu, S, Zhou, Z.H, Feigon, J.
Deposit date:2021-10-24
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis of RNA conformational switching in the transcriptional regulator 7SK RNP.
Mol.Cell, 82, 2022
2QJU
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BU of 2qju by Molmil
Crystal Structure of an NSS Homolog with Bound Antidepressant
Descriptor: 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, LEUCINE, ...
Authors:Zhou, Z, Karpowich, N.K, Wang, D.N, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2007-07-09
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:LeuT-desipramine structure reveals how antidepressants block neurotransmitter reuptake.
Science, 317, 2007
5C3U
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BU of 5c3u by Molmil
Crystal structure of a fungal L-serine ammonia-lyase from Rhizomucor miehei
Descriptor: L-serine ammonia-lyase, PYRIDOXAL-5'-PHOSPHATE
Authors:Zhen, Q, Qiaojuan, Y, Shaoqing, Y, Zhengqiang, J.
Deposit date:2015-06-17
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure and characterization of a novel l-serine ammonia-lyase from Rhizomucor miehei.
Biochem.Biophys.Res.Commun., 466, 2015
7MBO
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BU of 7mbo by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian
Authors:Sheriff, S.
Deposit date:2021-04-01
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.924 Å)
Cite:Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
1J3H
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BU of 1j3h by Molmil
Crystal structure of apoenzyme cAMP-dependent protein kinase catalytic subunit
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase, alpha-catalytic subunit
Authors:Akamine, P, Madhusudan, Wu, J, Xuong, N.H, Ten Eyck, L.F, Taylor, S.S.
Deposit date:2003-01-31
Release date:2003-03-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dynamic Features of cAMP-dependent Protein Kinase Revealed by Apoenzyme Crystal Structure
J.Mol.Biol., 327, 2003
5WQT
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BU of 5wqt by Molmil
Structure of a protein involved in pyroptosis
Descriptor: CITRIC ACID, GLYCEROL, Gasdermin-D
Authors:Kuang, S, Li, J.
Deposit date:2016-11-28
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure insight of GSDMD reveals the basis of GSDMD autoinhibition in cell pyroptosis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6W50
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BU of 6w50 by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((10R,14S)- 14-(4-(3-CHLORO-2,6-DIFLUOROPHENYL)-6-OXO-3,6-DIHYDRO- 1(2H)-PYRIDINYL)-10-METHYL-9-OXO-8,16- DIAZATRICYCLO[13.3.1.0~2,7~]NONADECA-1(19),2,4,6,15,17- HEXAEN-5-YL)CARBAMATE
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ...
Authors:Sheriff, S.
Deposit date:2020-03-12
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a High Affinity, Orally Bioavailable Macrocyclic FXIa Inhibitor with Antithrombotic Activity in Preclinical Species.
J.Med.Chem., 63, 2020
5X0R
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BU of 5x0r by Molmil
Crystal Structure of PXR LBD Complexed with SJB7
Descriptor: 4-[(4-tert-butylphenyl)sulfonyl]-1-(2,4-dimethoxy-5-methylphenyl)-5-methyl-1H-1,2,3-triazole, Nuclear receptor coactivator 1, Nuclear receptor subfamily 1 group I member 2
Authors:Lv, L, Lin, W, Chai, S.C, Zhang, Q, Chen, T.
Deposit date:2017-01-23
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.665 Å)
Cite:SPA70 is a potent antagonist of human pregnane X receptor.
Nat Commun, 8, 2017
5E2P
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BU of 5e2p by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
8XR2
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BU of 8xr2 by Molmil
Crystal structure of AKRtyl-apo1
Descriptor: Aldo/keto reductase
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2024-01-06
Release date:2024-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8XR4
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BU of 8xr4 by Molmil
Crystal structure of AKRtyl-NADP(H) complex
Descriptor: Aldo/keto reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2024-01-06
Release date:2024-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024
8XR3
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BU of 8xr3 by Molmil
Crystal structure of AKRtyl-apo2
Descriptor: Aldo/keto reductase
Authors:Lin, S, Dai, S, Xiao, Z.
Deposit date:2024-01-06
Release date:2024-04-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A three-level regulatory mechanism of the aldo-keto reductase subfamily AKR12D.
Nat Commun, 15, 2024

222036

數據於2024-07-03公開中

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