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6IGC
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BU of 6igc by Molmil
Crystal structure of HPV58/33/52 chimeric L1 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
Deposit date:2018-09-25
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
6IGD
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BU of 6igd by Molmil
Crystal structure of HPV58/33 chimeric L1 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
Deposit date:2018-09-25
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
6IGF
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BU of 6igf by Molmil
Crystal structure of Human Papillomavirus type 52 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
Deposit date:2018-09-25
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
6IGE
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BU of 6ige by Molmil
Crystal structure of Human Papillomavirus type 33 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
Deposit date:2018-09-25
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
5DX4
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BU of 5dx4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide, Bromodomain-containing protein 4, ...
Authors:Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
Deposit date:2015-09-23
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CM4
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BU of 5cm4 by Molmil
Crystal structure of human Frizzled 4 Cysteine-Rich Domain (CRD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4
Authors:Ke, J, Parker, N, Gu, X, Zhang, C, Melcher, K, Xu, H.E.
Deposit date:2015-07-16
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of the Norrin-Frizzled 4 interaction.
Cell Res., 25, 2015
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
8I13
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BU of 8i13 by Molmil
Cryo-EM structure of 6-subunit Smc5/6
Descriptor: MMS21 isoform 1, NSE3 isoform 1, Non-structural maintenance of chromosomes element 1 homolog, ...
Authors:Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Duo, J, Zhenguo, C, Wang, L.
Deposit date:2023-01-12
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
8I4V
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BU of 8i4v by Molmil
Cryo-EM structure of 5-subunit Smc5/6 arm region
Descriptor: DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, ...
Authors:Qian, L, Jun, Z, Xiang, Z, Cheng, T, Zhaoning, W, Zhenguo, C, Wang, L.
Deposit date:2023-01-21
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (5.97 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
8I4W
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BU of 8i4w by Molmil
Cryo-EM structure of 5-subunit Smc5/6 head region
Descriptor: DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 5, ...
Authors:Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Cheng, T, Duo, J, Zhenguo, C, Wang, L.
Deposit date:2023-01-21
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (6.01 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
8I4X
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BU of 8i4x by Molmil
Cryo-EM structure of 5-subunit Smc5/6
Descriptor: E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 5, Nse6, ...
Authors:Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Tong, C, Duo, J, Zhenguo, C, Wang, L.
Deposit date:2023-01-21
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (8.5 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
8I21
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BU of 8i21 by Molmil
Cryo-EM structure of 6-subunit Smc5/6 arm region
Descriptor: E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6
Authors:Jun, Z, Qian, L, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W.
Deposit date:2023-01-13
Release date:2024-06-26
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (6.02 Å)
Cite:Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 2024
2DWU
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BU of 2dwu by Molmil
Crystal Structure of Glutamate Racemase Isoform RacE1 from Bacillus anthracis
Descriptor: D-GLUTAMIC ACID, GLYCEROL, Glutamate racemase, ...
Authors:Mehboob, S, Santarsiero, B.D, Johnson, M.E.
Deposit date:2006-08-17
Release date:2007-06-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Functional Analysis of Two Glutamate Racemase Isozymes from Bacillus anthracis and Implications for Inhibitor Design
J.Mol.Biol., 371, 2007
1QUI
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BU of 1qui by Molmil
PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY GLY COMPLEX WITH BROMINE AND PHOSPHATE
Descriptor: BROMIDE ION, PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN
Authors:Yao, N, Choudhary, A, Ledvina, P.S, Quiocho, F.A.
Deposit date:1995-11-11
Release date:1996-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modulation of a salt link does not affect binding of phosphate to its specific active transport receptor.
Biochemistry, 35, 1996
5E6N
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BU of 5e6n by Molmil
Crystal structure of C. elegans LGG-2
Descriptor: Protein lgg-2
Authors:Qi, X, Ren, J.Q, Wu, F, Zhang, H, Feng, W.
Deposit date:2015-10-10
Release date:2016-01-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy
Mol.Cell, 60, 2015
1QUJ
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BU of 1quj by Molmil
PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY GLY COMPLEX WITH CHLORINE AND PHOSPHATE
Descriptor: CHLORIDE ION, PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN
Authors:Yao, N, Choudhary, A, Ledvina, P.S, Quiocho, F.A.
Deposit date:1995-11-11
Release date:1996-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modulation of a salt link does not affect binding of phosphate to its specific active transport receptor.
Biochemistry, 35, 1996
1QUK
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BU of 1quk by Molmil
PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY ASN COMPLEX WITH PHOSPHATE
Descriptor: PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN
Authors:Yao, N, Choudhary, A, Ledvina, P.S, Quiocho, F.A.
Deposit date:1995-11-11
Release date:1996-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Modulation of a salt link does not affect binding of phosphate to its specific active transport receptor.
Biochemistry, 35, 1996
1QUL
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BU of 1qul by Molmil
PHOSPHATE-BINDING PROTEIN MUTANT WITH ASP 137 REPLACED BY THR COMPLEX WITH CHLORINE AND PHOSPHATE
Descriptor: CHLORIDE ION, PHOSPHATE ION, PHOSPHATE-BINDING PROTEIN
Authors:Yao, N, Choudhary, A, Ledvina, P.S, Quiocho, F.A.
Deposit date:1995-11-11
Release date:1996-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Modulation of a salt link does not affect binding of phosphate to its specific active transport receptor.
Biochemistry, 35, 1996
6UL5
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BU of 6ul5 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ...
Authors:Ruiz, F.X, Pilch, A, Arnold, E.
Deposit date:2019-10-06
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.
J.Med.Chem., 63, 2020
7M9F
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BU of 7m9f by Molmil
Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261
Descriptor: HIV-1 capsid protein, IODIDE ION, N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2021-03-31
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation.
Viruses, 13, 2021
6V9C
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BU of 6v9c by Molmil
Crystal structure of FGFR4 kinase domain in complex with covalent inhibitor
Descriptor: Fibroblast growth factor receptor 4, N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide, SULFATE ION
Authors:Liu, J, Liu, H.
Deposit date:2019-12-13
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Selective, Covalent FGFR4 Inhibitors with Antitumor Activity in Models of Hepatocellular Carcinoma.
Acs Med.Chem.Lett., 11, 2020
8HOG
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BU of 8hog by Molmil
Crystal structure of Bcl-2 in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOI
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BU of 8hoi by Molmil
Crystal structure of Bcl-2 D103Y in complex with sonrotoclax
Descriptor: Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
Authors:Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
Deposit date:2022-12-10
Release date:2024-01-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
6V4K
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BU of 6v4k by Molmil
Structure of TrkH-TrkA in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Potassium transporter peripheral membrane component, Trk system potassium uptake protein
Authors:Zhou, M, Zhang, H.
Deposit date:2019-11-27
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.53004146 Å)
Cite:TrkA undergoes a tetramer-to-dimer conversion to open TrkH which enables changes in membrane potential.
Nat Commun, 11, 2020

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