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5VSR
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BU of 5vsr by Molmil
ABA-mimicking ligand AMF4 in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: Abscisic acid receptor PYL2, MAGNESIUM ION, N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)methanesulfonamide, ...
Authors:Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K.
Deposit date:2017-05-12
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.618 Å)
Cite:Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
5VRO
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BU of 5vro by Molmil
ABA-mimicking ligand AMF1beta in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: 1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ...
Authors:Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K.
Deposit date:2017-05-11
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.257 Å)
Cite:Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
5VT7
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BU of 5vt7 by Molmil
ABA-mimicking ligand AMC1beta in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: 1-(3-chloro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ...
Authors:Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K.
Deposit date:2017-05-15
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.624 Å)
Cite:Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
3HKS
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BU of 3hks by Molmil
Crystal structure of eukaryotic translation initiation factor eIF-5A2 from Arabidopsis thaliana
Descriptor: 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 5A-2
Authors:Teng, Y.B, He, Y.X, Jiang, Y.L, Chen, Y.X, Zhou, C.Z.
Deposit date:2009-05-25
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of Arabidopsis translation initiation factor eIF-5A2
Proteins, 77, 2009
6MOA
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BU of 6moa by Molmil
C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole inhibitor
Descriptor: 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole, Bromodomain-containing protein 2, GLYCEROL
Authors:Lansdon, E.B, Newby, Z.E.R.
Deposit date:2018-10-04
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.271 Å)
Cite:Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
6MO7
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BU of 6mo7 by Molmil
N-terminal bromodomain of human BRD2 with N-((4-(3-(N-cyclopentylsulfamoyl)-4-methylphenyl)-3-methylisoxazol-5-yl)methyl)acetamide inhibitor
Descriptor: Bromodomain-containing protein 2, N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide
Authors:Lansdon, E.B, Newby, Z.E.R.
Deposit date:2018-10-04
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
6MO8
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BU of 6mo8 by Molmil
N-terminal bromodomain of human BRD2 in complex with 4,4'-(quinoline-5,7-diyl)bis(3,5-dimethylisoxazole) inhibitor
Descriptor: 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline, Bromodomain-containing protein 2, SULFATE ION
Authors:Lansdon, E.B, Newby, Z.E.R.
Deposit date:2018-10-04
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
6MO9
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BU of 6mo9 by Molmil
N-terminal bromodomain of human BRD2 in complex with N-cyclopentyl-7-(3,5-dimethylisoxazol-4-yl)quinoline-5-sulfonamide inhibitor
Descriptor: Bromodomain-containing protein 2, N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
Authors:Lansdon, E.B, Newby, Z.E.R.
Deposit date:2018-10-04
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.
Bioorg. Med. Chem., 27, 2019
4E7A
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BU of 4e7a by Molmil
Crystal structure of a product state assembly of HCV NS5B genotype 2a JFH-1 isolate with beta hairpin deletion bound to primer-template RNA with a 2',3'-ddC
Descriptor: 5'-R(*CP*AP*UP*GP*GP*C)-D(P*(DOC))-3', RNA-directed RNA polymerase
Authors:Edwards, T.E, Mosley, R.T.
Deposit date:2012-03-16
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of hepatitis C virus polymerase in complex with primer-template RNA.
J.Virol., 86, 2012
4E76
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BU of 4e76 by Molmil
Apo crystal structure of HCV NS5B genotype 2A JFH-1 isolate with beta hairpin loop deletion
Descriptor: 1,2-ETHANEDIOL, RNA-directed RNA polymerase, SULFATE ION
Authors:Edwards, T.E, Mosley, R.T.
Deposit date:2012-03-16
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of hepatitis C virus polymerase in complex with primer-template RNA.
J.Virol., 86, 2012
8Q7E
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BU of 8q7e by Molmil
Structure of CUL9-RBX1 ubiquitin E3 ligase complex - hexameric assembly
Descriptor: Cullin-9, E3 ubiquitin-protein ligase RBX1
Authors:Hopf, L.V.M, Horn-Ghetko, D, Schulman, B.A.
Deposit date:2023-08-16
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex.
Nat.Struct.Mol.Biol., 2024
8Q7H
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BU of 8q7h by Molmil
Structure of CUL9-RBX1 ubiquitin E3 ligase complex in unneddylated and neddylated conformation - focused cullin dimer
Descriptor: Cullin-9, E3 ubiquitin-protein ligase RBX1, NEDD8, ...
Authors:Hopf, L.V.M, Horn-Ghetko, D, Schulman, B.A.
Deposit date:2023-08-16
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Noncanonical assembly, neddylation and chimeric cullin-RING/RBR ubiquitylation by the 1.8 MDa CUL9 E3 ligase complex.
Nat.Struct.Mol.Biol., 2024
4KJT
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BU of 4kjt by Molmil
Structure of the L100F MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH OXYGEN
Descriptor: 1,2-ETHANEDIOL, Dehaloperoxidase A, OXYGEN MOLECULE, ...
Authors:Wang, C, Lovelace, L, Lebioda, L.
Deposit date:2013-05-03
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Influence of heme environment structure on dioxygen affinity for the dual function Amphitrite ornata hemoglobin/dehaloperoxidase. Insights into the evolutional structure-function adaptations.
Arch.Biochem.Biophys., 545, 2014
4E78
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BU of 4e78 by Molmil
Crystal structure of a product state assembly of HCV NS5B genotype 2a JFH-1 isolate with beta hairpin loop deletion bound to primer-template RNA with 3'-dG
Descriptor: 5'-R(*U*AP*CP*CP*GP*(GDO))-3', PROTEIN (RNA-directed RNA polymerase)
Authors:Edwards, T.E, Mosley, R.T.
Deposit date:2012-03-16
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of hepatitis C virus polymerase in complex with primer-template RNA.
J.Virol., 86, 2012
4F4U
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BU of 4f4u by Molmil
The bicyclic intermediate structure provides insights into the desuccinylation mechanism of SIRT5
Descriptor: NAD-dependent lysine demalonylase and desuccinylase sirtuin-5, mitochondrial, ZINC ION, ...
Authors:Zhou, Y, Hao, Q.
Deposit date:2012-05-11
Release date:2012-06-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Bicyclic Intermediate Structure Provides Insights into the Desuccinylation Mechanism of Human Sirtuin 5 (SIRT5)
J.Biol.Chem., 287, 2012
4QUC
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BU of 4quc by Molmil
Crystal structure of chromodomain of Rhino
Descriptor: RE36324p
Authors:Li, S, Patel, D.J.
Deposit date:2014-07-10
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Transgenerationally inherited piRNAs trigger piRNA biogenesis by changing the chromatin of piRNA clusters and inducing precursor processing.
Genes Dev., 28, 2014
4QUF
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BU of 4quf by Molmil
crystal structure of chromodomain of Rhino with H3K9me3
Descriptor: H3(1-15)K9me3 peptide, RE36324p
Authors:Li, S, Patel, D.J.
Deposit date:2014-07-10
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Transgenerationally inherited piRNAs trigger piRNA biogenesis by changing the chromatin of piRNA clusters and inducing precursor processing.
Genes Dev., 28, 2014
3ZG6
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BU of 3zg6 by Molmil
The novel de-long chain fatty acid function of human sirt6
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-6, ...
Authors:Wang, Y, Hao, Q.
Deposit date:2012-12-15
Release date:2013-04-03
Last modified:2013-04-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sirt6 Regulates Tnf-Alpha Secretion Through Hydrolysis of Long-Chain Fatty Acyl Lysine
Nature, 496, 2013
4TLL
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BU of 4tll by Molmil
Crystal structure of GluN1/GluN2B NMDA receptor, structure 1
Descriptor: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, ...
Authors:Gouaux, E, Lee, C.-H, Lu, W.
Deposit date:2014-05-30
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:NMDA receptor structures reveal subunit arrangement and pore architecture.
Nature, 511, 2014
4TLM
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BU of 4tlm by Molmil
Crystal structure of GluN1/GluN2B NMDA receptor, structure 2
Descriptor: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, ...
Authors:Gouaux, E, Lee, C.-H, Lu, W.
Deposit date:2014-05-30
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:NMDA receptor structures reveal subunit arrangement and pore architecture.
Nature, 511, 2014
5U36
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BU of 5u36 by Molmil
Crystal Structure Of A Mutant M. Jannashii Tyrosyl-tRNA Synthetase
Descriptor: Tyrosine--tRNA ligase
Authors:Luo, X, Fu, G, Zhu, X, Wilson, I.A, Wang, F.
Deposit date:2016-12-01
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Genetically encoding phosphotyrosine and its nonhydrolyzable analog in bacteria.
Nat. Chem. Biol., 13, 2017
8U47
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BU of 8u47 by Molmil
Crystal structure of Bacteroides thetaiotaomicron VPI-5482 Endoglycosidase BT1285
Descriptor: Endo-beta-N-acetylglucosaminidase, MAGNESIUM ION, PHOSPHATE ION
Authors:Sastre, D.E, Sultana, N, Sundberg, E.J.
Deposit date:2023-09-09
Release date:2024-05-29
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024
8DGG
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BU of 8dgg by Molmil
Structure of glycosylated LAG-3 homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Silberstein, J.L, Mathews, I.I, Frank, J.A, Chan, K.-W, Fernandez, D, Du, J, Wang, J, Kong, X.-P, Cochran, J.R.
Deposit date:2022-06-23
Release date:2022-08-17
Last modified:2022-08-31
Method:X-RAY DIFFRACTION (3.78 Å)
Cite:Structural basis for LAG-3 dimeric association and inhibition of T cell function
To Be Published
7E5Y
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BU of 7e5y by Molmil
Molecular basis for neutralizing antibody 2B11 targeting SARS-CoV-2 RBD
Descriptor: 2B11 Fab Heavy chain, 2B11 Fab Light chain, Spike protein S1
Authors:Wu, H, Yu, F, Wang, Q.S, Zhou, H, Wang, W.W, Zhao, T, Pan, Y.B, Yang, X.M.
Deposit date:2021-02-21
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Screening of potent neutralizing antibodies against SARS-CoV-2 using convalescent patients-derived phage-display libraries.
Cell Discov, 7, 2021
8W01
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BU of 8w01 by Molmil
Crystal structure of DUF1735 domain-containing protein (GH18-like) from Bacteroides faecium at 2.7 A resolution (Space group C2)
Descriptor: DUF1735 domain-containing protein
Authors:Sastre, D.E, Navarro, M.V.A.S, Sultana, N, Sundberg, E.J.
Deposit date:2024-02-13
Release date:2024-05-29
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate.
Nat Commun, 15, 2024

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PDB entries from 2024-07-10

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