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6IMT
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BU of 6imt by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.483 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMO
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BU of 6imo by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6INM
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BU of 6inm by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-26
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMR
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BU of 6imr by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-23
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6INK
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BU of 6ink by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-25
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IND
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BU of 6ind by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
Descriptor: (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Zhang, X.L, Su, H.X, Xu, Y.C.
Deposit date:2018-10-24
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.872 Å)
Cite:Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
7Y01
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BU of 7y01 by Molmil
Crystal structure of ZmMCM10 in complex with 16nt ssDNA at 2.8. Angstrom resolution
Descriptor: DNA (5'-D(*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*C)-3'), MCM10 minichromosome maintenance deficient 10, ZINC ION
Authors:Du, X, Du, J.
Deposit date:2022-06-03
Release date:2023-04-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:AtMCM10 promotes DNA replication-coupled nucleosome assembly in Arabidopsis.
J Integr Plant Biol, 65, 2023
4P61
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BU of 4p61 by Molmil
CHICKEN TRIOSEPHOSPHATE ISOMERASE WITH LOOP6 MUTATIONS, V167P AND W168E.
Descriptor: Triosephosphate isomerase
Authors:Pegan, S.D, Mesecar, A.D.
Deposit date:2014-03-21
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Enzyme architecture: the effect of replacement and deletion mutations of loop 6 on catalysis by triosephosphate isomerase.
Biochemistry, 53, 2014
7Y7D
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BU of 7y7d by Molmil
Structure of the Bacterial Ribosome with human tRNA Asp(Q34) and mRNA(GAU)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Ishiguro, K, Yokoyama, T, Shirouzu, M, Suzuki, T.
Deposit date:2022-06-22
Release date:2023-10-25
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Glycosylated queuosines in tRNAs optimize translational rate and post-embryonic growth.
Cell, 186, 2023
7Y7C
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BU of 7y7c by Molmil
Structure of the Bacterial Ribosome with human tRNA Asp(G34) and mRNA(GAU)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Ishiguro, K, Yokoyama, T, Shirouzu, M, Suzuki, T.
Deposit date:2022-06-22
Release date:2023-10-25
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Glycosylated queuosines in tRNAs optimize translational rate and post-embryonic growth.
Cell, 186, 2023
7Y7E
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BU of 7y7e by Molmil
Structure of the Bacterial Ribosome with human tRNA Asp(ManQ34) and mRNA(GAU)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Ishiguro, K, Yokoyama, T, Shirouzu, M, Suzuki, T.
Deposit date:2022-06-22
Release date:2023-10-25
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.41 Å)
Cite:Glycosylated queuosines in tRNAs optimize translational rate and post-embryonic growth.
Cell, 186, 2023
7Y7F
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BU of 7y7f by Molmil
Structure of the Bacterial Ribosome with human tRNA Asp(ManQ34) and mRNA(GAC)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Ishiguro, K, Yokoyama, T, Shirouzu, M, Suzuki, T.
Deposit date:2022-06-22
Release date:2023-10-25
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.43 Å)
Cite:Glycosylated queuosines in tRNAs optimize translational rate and post-embryonic growth.
Cell, 186, 2023
7Y7G
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BU of 7y7g by Molmil
Structure of the Bacterial Ribosome with human tRNA Tyr(GalQ34) and mRNA(UAU)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Ishiguro, K, Yokoyama, T, Shirouzu, M, Suzuki, T.
Deposit date:2022-06-22
Release date:2023-10-25
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.34 Å)
Cite:Glycosylated queuosines in tRNAs optimize translational rate and post-embryonic growth.
Cell, 186, 2023
7Y7H
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BU of 7y7h by Molmil
Structure of the Bacterial Ribosome with human tRNA Tyr(GalQ34) and mRNA(UAC)
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Ishiguro, K, Yokoyama, T, Shirouzu, M, Suzuki, T.
Deposit date:2022-06-22
Release date:2023-10-25
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Glycosylated queuosines in tRNAs optimize translational rate and post-embryonic growth.
Cell, 186, 2023
8X2I
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BU of 8x2i by Molmil
Cryo-EM structure of the TcsL at pH 5.0 in its open conformation
Descriptor: Cytotoxin-L, ZINC ION
Authors:Zhan, X, Tao, L.
Deposit date:2023-11-09
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural dynamics of CROPs control stability and toxicity of Paeniclostridium sordellii lethal toxin
Nat Commun, 2023
8X2H
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BU of 8x2h by Molmil
Cryo-EM structure of the TcsL at pH 5.0 in its closed conformation
Descriptor: Cytotoxin-L, ZINC ION
Authors:Zhan, X, Tao, L.
Deposit date:2023-11-09
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural dynamics of CROPs control stability and toxicity of Paeniclostridium sordellii lethal toxin
Nat Commun, 2023
7EGN
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BU of 7egn by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2021-03-24
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:H-Bonding Networks Dictate the Molecular Mechanism of H2O2 Activation by P450
Acs Catalysis, 11, 2021
8JB5
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BU of 8jb5 by Molmil
The cryo-EM structure of Paeniclostridium sordellii lethal toxin (TcsL)
Descriptor: Cytotoxin-L, ZINC ION
Authors:Zhan, X, Tao, L.
Deposit date:2023-05-08
Release date:2023-12-13
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural dynamics of CROPs control stability and toxicity of Paeniclostridium sordellii lethal toxin
Nat Commun, 2023
7XT1
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BU of 7xt1 by Molmil
Crystal structure of Bypass-of-forespore protein C from Bacillus Subtilis
Descriptor: Protein BofC
Authors:Zhang, X.Y, Jiang, L.G, Huang, M.D.
Deposit date:2022-05-15
Release date:2023-05-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Studies of Bypass of Forespore Protein C from Bacillus Subtilis to Reveal Its Inhibitory Molecular Mechanism for SpoIVB
Catalysts, 12, 2022
6DQ4
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BU of 6dq4 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
Descriptor: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.392 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ9
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BU of 6dq9 by Molmil
Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
Descriptor: 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ5
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BU of 6dq5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N43 i.e. 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: Linked KDM5A Jmj Domain, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQD
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BU of 6dqd by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:To be determined
To Be Published
6DQE
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BU of 6dqe by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N67 i.e. 2-(5-phenyl-4-(phenyl(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:To be determined
To Be Published
7YV8
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BU of 7yv8 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with golden hamster ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-08-18
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023

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