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7V2W
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BU of 7v2w by Molmil
protomer structure from the dimer of yeast THO complex
Descriptor: Protein TEX1, THO complex subunit 2, THO complex subunit HPR1, ...
Authors:Chen, C, Tan, M, Wu, Z, Wu, J, Lei, M.
Deposit date:2021-08-10
Release date:2022-07-27
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional insights into R-loop prevention and mRNA export by budding yeast THO-Sub2 complex.
Sci Bull (Beijing), 66, 2021
7V99
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BU of 7v99 by Molmil
catalytic core of human telomerase holoenzyme
Descriptor: Histone H2A type 1-B/E, Histone H2B type 1-K, Primer DNA, ...
Authors:Wan, F, Ding, Y, Yang, L, Wu, Z, Wu, J, Lei, M.
Deposit date:2021-08-24
Release date:2022-03-30
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Zipper head mechanism of telomere synthesis by human telomerase.
Cell Res., 31, 2021
7V9A
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BU of 7v9a by Molmil
biogenesis module of human telomerase holoenzyme
Descriptor: H/ACA ribonucleoprotein complex subunit 1, H/ACA ribonucleoprotein complex subunit 2, H/ACA ribonucleoprotein complex subunit 3, ...
Authors:Wan, F, Ding, Y, Yang, L, Wu, Z, Wu, J, Lei, M.
Deposit date:2021-08-24
Release date:2022-03-30
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Zipper head mechanism of telomere synthesis by human telomerase.
Cell Res., 31, 2021
7E0P
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BU of 7e0p by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 4-(((6-Bromo-1H-indazol-4-yl)amino)methyl)phenol (2)
Descriptor: 4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ...
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.635 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
7E0T
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BU of 7e0t by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((5-bromo-1H-indazol-4-yl)amino)methyl)Cyclohexan-1-ol (36)
Descriptor: (1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.137 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
7E0O
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BU of 7e0o by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-1H-indazol-4-amine (1)
Descriptor: 6-bromanyl-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.337 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
7E0S
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BU of 7e0s by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1R,2S)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (23)
Descriptor: (1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, ACETIC ACID, Indoleamine 2,3-dioxygenase 1, ...
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.712 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
7E0U
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BU of 7e0u by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with 6-Bromo-N-(((1S,2S)-2-chlorocyclohexyl)methyl)-1H-indazol-4-amine (39)
Descriptor: 6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
7E0Q
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BU of 7e0q by Molmil
Crystal Structure of Human Indoleamine 2,3-dioxygenagse 1 (hIDO1) Complexed with (1S,2R)-2-(((6-Bromo-1H-indazol-4-yl)amino)methyl)cyclohexan-1-ol (22)
Descriptor: (1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, G.-B, Ning, X.-L.
Deposit date:2021-01-28
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.462 Å)
Cite:X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson's Disease.
J.Med.Chem., 64, 2021
6XP9
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BU of 6xp9 by Molmil
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide IN COMPLEX WITH (S,S)-1
Descriptor: (2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid, GLYCEROL, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion
Authors:Khan, J.A.
Deposit date:2020-07-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure-based amelioration of PXR transactivation in a novel series of macrocyclic allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 30, 2020
2F4M
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BU of 2f4m by Molmil
The Mouse PNGase-HR23 Complex Reveals a Complete Remodulation of the Protein-Protein Interface Compared to its Yeast Orthologs
Descriptor: CHLORIDE ION, UV excision repair protein RAD23 homolog B, ZINC ION, ...
Authors:Zhao, G, Zhou, X, Wang, L, Kisker, C, Lennarz, W.J, Schindelin, H.
Deposit date:2005-11-23
Release date:2006-03-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the mouse peptide N-glycanase-HR23 complex suggests co-evolution of the endoplasmic reticulum-associated degradation and DNA repair pathways.
J.Biol.Chem., 281, 2006
2F4O
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BU of 2f4o by Molmil
The Mouse PNGase-HR23 Complex Reveals a Complete Remodulation of the Protein-Protein Interface Compared to its Yeast Orthologs
Descriptor: CHLORIDE ION, PHQ-VAL-ALA-ASP-CF0, XP-C repair complementing complex 58 kDa protein, ...
Authors:Zhao, G, Zhou, X, Wang, L, Kisker, C, Lennarz, W.J, Schindelin, H.
Deposit date:2005-11-23
Release date:2006-03-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure of the mouse peptide N-glycanase-HR23 complex suggests co-evolution of the endoplasmic reticulum-associated degradation and DNA repair pathways.
J.Biol.Chem., 281, 2006
5ZAZ
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BU of 5zaz by Molmil
Solution structure of integrin b2 monomer tranmembrane domain in bicelle
Descriptor: Integrin beta-2
Authors:Li, H, Guo, J, Xu, C.
Deposit date:2018-02-09
Release date:2018-10-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Intramembrane ionic protein-lipid interaction regulates integrin structure and function.
PLoS Biol., 16, 2018
7D0P
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BU of 7d0p by Molmil
Crystal structure of human HBO1-BRPF2 in complex with propionyl-coenzyme A
Descriptor: BRD1 protein, CHLORIDE ION, Histone acetyltransferase KAT7, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0S
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BU of 7d0s by Molmil
Crystal structure of human HBO1-BRPF2 in complex with succinyl-coenzyme A
Descriptor: BRD1 protein, Histone acetyltransferase KAT7, SUCCINYL-COENZYME A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0Q
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BU of 7d0q by Molmil
Crystal structure of human HBO1-BRPF2 in complex with butyryl-coenzyme A
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, Butyryl Coenzyme A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0O
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BU of 7d0o by Molmil
Crystal structure of human HBO1-BRPF2 in apo form
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, Histone acetyltransferase KAT7, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0R
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BU of 7d0r by Molmil
Crystal structure of human HBO1-BRPF2 in complex with crotonoyl-coenzyme A
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, CROTONYL COENZYME A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
4NXL
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BU of 4nxl by Molmil
Dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis
Descriptor: DszC
Authors:Zhang, L, Duan, X, Li, X, Rao, Z.
Deposit date:2013-12-09
Release date:2014-07-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the stabilization of active, tetrameric DszC by its C-terminus.
Proteins, 82, 2014
4JEK
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BU of 4jek by Molmil
Structure of dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis
Descriptor: Dibenzothiophene desulfurization enzyme C
Authors:Zhang, L, Duan, X.L, Zhou, D.M, Li, X.
Deposit date:2013-02-27
Release date:2013-09-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallization and preliminary structural analysis of dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis
Acta Crystallogr.,Sect.F, 69, 2013
1D2R
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BU of 1d2r by Molmil
2.9 A CRYSTAL STRUCTURE OF LIGAND-FREE TRYPTOPHANYL-TRNA SYNTHETASE: DOMAIN MOVEMENTS FRAGMENT THE ADENINE NUCLEOTIDE BINDING SITE.
Descriptor: PROTEIN (TRYPTOPHANYL TRNA SYNTHETASE)
Authors:Ilyin, V.A, Carter Jr, C.W.
Deposit date:1999-09-27
Release date:2000-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:2.9 A crystal structure of ligand-free tryptophanyl-tRNA synthetase: domain movements fragment the adenine nucleotide binding site.
Protein Sci., 9, 2000
6IEG
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BU of 6ieg by Molmil
Crystal structure of human MTR4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION
Authors:Chen, J.Y, Yun, C.H.
Deposit date:2018-09-14
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
6IEH
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BU of 6ieh by Molmil
Crystal structures of the hMTR4-NRDE2 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Exosome RNA helicase MTR4, ...
Authors:Chen, J.Y, Yun, C.H.
Deposit date:2018-09-14
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.892 Å)
Cite:NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction.
Genes Dev., 33, 2019
5Z1S
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BU of 5z1s by Molmil
Crystal Structure Analysis of the BRD4(1)
Descriptor: 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
6E69
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BU of 6e69 by Molmil
Ortho-substituted phenyl sulfonyl fluoride and fluorosulfate as potent elastase inhibitory fragments
Descriptor: 2-(fluorosulfonyl)benzene-1-sulfonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wolan, D.W, Woehl, J.L, Kitamura, S.
Deposit date:2018-07-24
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase.
Proc.Natl.Acad.Sci.USA, 116, 2019

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