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5PGX
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BU of 5pgx by Molmil
CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
Descriptor: 2-(2-BENZYL-6-HYDROXYADAMANTAN-2-YL)-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sheriff, S.
Deposit date:2017-02-06
Release date:2017-11-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor.
J. Med. Chem., 60, 2017
4WA4
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BU of 4wa4 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with oseltamivir carboxylate
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase, ...
Authors:Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
Deposit date:2014-08-28
Release date:2015-01-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
4WA5
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BU of 4wa5 by Molmil
The crystal structure of neuraminidase from a H3N8 influenza virus isolated from New England harbor seals in complex with zanamivir
Descriptor: CALCIUM ION, Neuraminidase, ZANAMIVIR, ...
Authors:Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
Deposit date:2014-08-28
Release date:2015-01-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
4WA2
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BU of 4wa2 by Molmil
The crystal structure of hemagglutinin from a H3N8 influenza virus isolated from New England harbor seals in complex with 3'SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Yang, H, Villanueva, J.M, Gubareva, L.V, Stevens, J.
Deposit date:2014-08-28
Release date:2015-01-14
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Functional Analysis of Surface Proteins from an A(H3N8) Influenza Virus Isolated from New England Harbor Seals.
J.Virol., 89, 2015
7C81
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BU of 7c81 by Molmil
E30 F-particle in complex with 6C5
Descriptor: Heavy chain, Light chain, SPHINGOSINE, ...
Authors:Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X.
Deposit date:2020-05-28
Release date:2020-07-29
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B.
Nat Commun, 11, 2020
7C80
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BU of 7c80 by Molmil
E30 F-particle in complex with 4B10
Descriptor: Heavy chain, Light chain, SPHINGOSINE, ...
Authors:Wang, K, Zheng, B, Zhang, L, Cui, L, Su, X, Zhang, Q, Guo, Y, Zhu, L, Zhu, F, Rao, Z, Wang, X.
Deposit date:2020-05-28
Release date:2020-07-29
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B.
Nat Commun, 11, 2020
2O8M
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BU of 2o8m by Molmil
Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease
Descriptor: Protease, SODIUM ION, ZINC ION
Authors:Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N.
Deposit date:2006-12-12
Release date:2007-10-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization
J.Med.Chem., 50, 2007
7CMK
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BU of 7cmk by Molmil
E30 E-particle in complex with 6C5
Descriptor: Heavy chain, Light chain, VP1, ...
Authors:Wang, K, Zhu, F, Rao, Z, Wang, X.
Deposit date:2020-07-27
Release date:2020-08-12
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B.
Nat Commun, 11, 2020
3LGP
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BU of 3lgp by Molmil
Crystal structure of catalytic domain of tace with benzimidazolyl-thienyl-tartrate based inhibitor
Descriptor: (2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(5-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}thiophen-2-yl)methyl]butanamide, Disintegrin and metalloproteinase domain-containing protein 17, ZINC ION
Authors:Orth, P.
Deposit date:2010-01-21
Release date:2010-07-28
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and activity relationships of tartrate-based TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
5C2O
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BU of 5c2o by Molmil
Crystal structure of Streptococcus mutans Deoxycytidylate Deaminase complexed with dTTP
Descriptor: MAGNESIUM ION, Putative deoxycytidylate deaminase, THYMIDINE-5'-TRIPHOSPHATE, ...
Authors:Li, Y.H, Gao, Z.Q, Hou, H.F, Dong, Y.H.
Deposit date:2015-06-16
Release date:2016-07-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Mechanism of the allosteric regulation of Streptococcus mutans 2'-deoxycytidylate deaminase.
Acta Crystallogr D Struct Biol, 72, 2016
3E8R
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BU of 3e8r by Molmil
Crystal structure of catalytic domain of TACE with hydroxamate inhibitor
Descriptor: (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ADAM 17, CITRIC ACID, ...
Authors:Orth, P.
Deposit date:2008-08-20
Release date:2008-10-21
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
4U2H
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BU of 4u2h by Molmil
The crystal structure of apo CalE6, a methionine gamma lyase from Micromonospora echinospora
Descriptor: CalE6, SULFATE ION
Authors:Song, H.G, Xu, R.
Deposit date:2014-07-17
Release date:2015-01-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification and Characterization of a Methionine gamma-Lyase in the Calicheamicin Biosynthetic Cluster of Micromonospora echinospora
Chembiochem, 16, 2015
5L18
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BU of 5l18 by Molmil
The crystal structure of neuraminidase in complex with sialic acid from A/Shanghai/2/2013 (H7N9) influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetyl-alpha-neuraminic acid, ...
Authors:Yang, H, Stevens, J.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
5L17
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BU of 5l17 by Molmil
The crystal structure of neuraminidase in complex with zanamivir from A/Shanghai/2/2013 (H7N9) influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Yang, H, Stevens, J.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
5L15
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BU of 5l15 by Molmil
The crystal structure of neuraminidase in complex with oseltamivir from A/Shanghai/2/2013 (H7N9) influenza virus
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yang, H, Stevens, J.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
5L14
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BU of 5l14 by Molmil
The crystal structure of neuraminidase from A/Shanghai/2/2013 (H7N9) influenza virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Yang, H, Stevens, J.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Drug Susceptibility Evaluation of an Influenza A(H7N9) Virus by Analyzing Recombinant Neuraminidase Proteins.
J. Infect. Dis., 216, 2017
5MEI
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BU of 5mei by Molmil
Crystal structure of Agelastatin A bound to the 80S ribosome
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:McClary, B, Zinshteyn, B, Meyer, M, Jouanneau, M, Pellegrino, S, Yusupova, G, Schuller, A, Reyes, J.C.P, Lu, J, Luo, C, Dang, Y, Romo, D, Yusupov, M, Green, R, Liu, J.O.
Deposit date:2016-11-15
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Inhibition of Eukaryotic Translation by the Antitumor Natural Product Agelastatin A.
Cell Chem Biol, 24, 2017
7QSX
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BU of 7qsx by Molmil
Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8 complex
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit
Authors:Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
Deposit date:2022-01-14
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
7QT1
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BU of 7qt1 by Molmil
Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8S8 complex with substitution e170N
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ...
Authors:Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
Deposit date:2022-01-14
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
7QSW
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BU of 7qsw by Molmil
L8S8-complex forming RubisCO derived from ancestral sequence reconstruction of the last common ancestor of SSU-bearing Form I RubisCOs
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ...
Authors:Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
Deposit date:2022-01-14
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
7QSV
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BU of 7qsv by Molmil
L8-complex forming RubisCO derived from ancestral sequence reconstruction of the last common ancestor of Form I'' and Form I RubisCOs
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit
Authors:Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
Deposit date:2022-01-14
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
7QSY
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BU of 7qsy by Molmil
Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8S8 complex
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit, ...
Authors:Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
Deposit date:2022-01-14
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
7QSZ
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BU of 7qsz by Molmil
Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8 complex with substitution e170N
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit
Authors:Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
Deposit date:2022-01-14
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
4O1V
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BU of 4o1v by Molmil
SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer
Descriptor: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, Speckle-type POZ protein
Authors:Calabrese, M.F, Watson, E.R, Schulman, B.A.
Deposit date:2013-12-16
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer.
Cancer Cell, 25, 2014
3KMC
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BU of 3kmc by Molmil
Crystal structure of catalytic domain of TACE with tartrate-based inhibitor
Descriptor: (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ...
Authors:Orth, P.
Deposit date:2009-11-10
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009

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