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5JKR
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BU of 5jkr by Molmil
vaccinia virus D4/A20(1-50)w43a mutant
Descriptor: DNA polymerase processivity factor component A20, SULFATE ION, Uracil-DNA glycosylase
Authors:Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F.
Deposit date:2016-04-26
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural analysis of point mutations at the Vaccinia virus A20/D4 interface.
Acta Crystallogr.,Sect.F, 72, 2016
5JKS
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BU of 5jks by Molmil
vaccinia virus D4 R167A mutant /A20(1-50)
Descriptor: DNA polymerase processivity factor component A20, SULFATE ION, Uracil-DNA glycosylase
Authors:Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F.
Deposit date:2016-04-26
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural analysis of point mutations at the Vaccinia virus A20/D4 interface.
Acta Crystallogr.,Sect.F, 72, 2016
5JKT
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BU of 5jkt by Molmil
vaccinia virus D4 P173G mutant /A20(1-50)
Descriptor: ACETATE ION, DNA polymerase processivity factor component A20, SULFATE ION, ...
Authors:Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F.
Deposit date:2016-04-26
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structural analysis of point mutations at the Vaccinia virus A20/D4 interface.
Acta Crystallogr.,Sect.F, 72, 2016
4OD8
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BU of 4od8 by Molmil
Crystal structure of the vaccinia virus DNA polymerase holoenzyme subunit D4 in complex with the A20 N-terminus
Descriptor: DNA polymerase processivity factor component A20, GLYCEROL, SULFATE ION, ...
Authors:Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Iseni, F.
Deposit date:2014-01-10
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of the vaccinia virus DNA polymerase holoenzyme subunit d4 in complex with the a20 N-terminal domain.
Plos Pathog., 10, 2014
4ODA
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BU of 4oda by Molmil
Crystal structure of the vaccinia virus DNA polymerase holoenzyme subunit D4 in complex with the A20 N-terminus
Descriptor: DNA polymerase processivity factor component A20, GLYCEROL, SULFATE ION, ...
Authors:Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Iseni, F.
Deposit date:2014-01-10
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the vaccinia virus DNA polymerase holoenzyme subunit d4 in complex with the a20 N-terminal domain.
Plos Pathog., 10, 2014
2INX
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BU of 2inx by Molmil
Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol
Descriptor: 2,6-DIFLUOROPHENOL, Steroid delta-isomerase
Authors:Martinez Caaveiro, J.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P, Kraut, D, Herschlag, D.
Deposit date:2006-10-09
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole.
J.Am.Chem.Soc., 130, 2008
1OVK
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BU of 1ovk by Molmil
T4 Lysozyme Cavity Mutant L99A/M102Q Bound with N-Allyl-Aniline
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
Authors:Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
Deposit date:2003-03-26
Release date:2004-04-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
1OVH
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BU of 1ovh by Molmil
T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Chloro-6-Methyl-Aniline
Descriptor: 2-CHLORO-6-METHYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
Deposit date:2003-03-26
Release date:2004-04-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
1OWY
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BU of 1owy by Molmil
T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Propyl-Aniline
Descriptor: 2-PROPYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
Deposit date:2003-03-31
Release date:2004-04-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
1OV5
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BU of 1ov5 by Molmil
T4 Lysozyme Cavity Mutant L99a/M102Q Bound With 2-Allylphenol
Descriptor: 2-ALLYLPHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
Deposit date:2003-03-25
Release date:2004-04-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
1OV7
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BU of 1ov7 by Molmil
T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 2-Allyl-6-Methyl-Phenol
Descriptor: 2-ALLYL-6-METHYL-PHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
Deposit date:2003-03-25
Release date:2004-04-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
1OVJ
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BU of 1ovj by Molmil
T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2-Methyl_Aniline
Descriptor: 3-FLUORO-2-METHYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
Deposit date:2003-03-26
Release date:2004-04-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
1OWZ
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BU of 1owz by Molmil
T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 4-FluoroPhenEthyl Alcohol
Descriptor: 4-FLUOROPHENETHYL ALCOHOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K.
Deposit date:2003-03-31
Release date:2004-04-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
3CPO
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BU of 3cpo by Molmil
Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol
Descriptor: 2-fluorophenol, Delta(5)-3-ketosteroid isomerase
Authors:Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.
Deposit date:2008-03-31
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole
J.Am.Chem.Soc., 130, 2008
5U5U
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BU of 5u5u by Molmil
CcP gateless cavity
Descriptor: ISONICOTINAMIDINE, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
Authors:Fischer, M, Shoichet, B.K.
Deposit date:2016-12-07
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U5Y
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BU of 5u5y by Molmil
CcP gateless cavity
Descriptor: 2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
Authors:Fischer, M, Shoichet, B.K.
Deposit date:2016-12-07
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U60
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BU of 5u60 by Molmil
CcP gateless cavity
Descriptor: (4E)-4-hydrazinylidene-1,4-dihydroquinoline, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
Authors:Fischer, M, Shoichet, B.K.
Deposit date:2016-12-07
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UG2
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BU of 5ug2 by Molmil
CcP gateless cavity
Descriptor: 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
Authors:Stein, R.M, Fischer, M, Shoichet, B.K.
Deposit date:2017-01-06
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U5W
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BU of 5u5w by Molmil
CcP gateless cavity
Descriptor: 3-methylquinolin-4-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
Authors:Fischer, M, Shoichet, B.K.
Deposit date:2016-12-07
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U5X
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BU of 5u5x by Molmil
CcP gateless cavity
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Peroxidase, THIOPHENE-3-CARBOXIMIDAMIDE
Authors:Fischer, M, Shoichet, B.K.
Deposit date:2016-12-07
Release date:2017-02-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6CPB
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BU of 6cpb by Molmil
Crystal structure of the heme domain of CooA from Carboxydothermus hydrogenoformans
Descriptor: Carbon monoxide oxidation system transcription regulator CooA-1, GLYCEROL, SULFATE ION
Authors:Tripathi, S.M, Poulos, T.L.
Deposit date:2018-03-13
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.155 Å)
Cite:Testing the N-Terminal Velcro Model of CooA Carbon Monoxide Activation.
Biochemistry, 57, 2018
2LDX
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BU of 2ldx by Molmil
CHARACTERIZATION OF THE ANTIGENIC SITES ON THE REFINED 3-ANGSTROMS RESOLUTION STRUCTURE OF MOUSE TESTICULAR LACTATE DEHYDROGENASE C4
Descriptor: APO-LACTATE DEHYDROGENASE
Authors:Griffith, J.P, Rossmann, M.G.
Deposit date:1987-11-25
Release date:1989-04-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Characterization of the antigenic sites on the refined 3-A resolution structure of mouse testicular lactate dehydrogenase C4.
J.Biol.Chem., 262, 1987
7LXL
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BU of 7lxl by Molmil
Crystal structure of human CYP3A4 bound to the testosterone dimer
Descriptor: 17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sevrioukova, I.F.
Deposit date:2021-03-04
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Innovative C 2 -symmetric testosterone and androstenedione dimers: Design, synthesis, biological evaluation on prostate cancer cell lines and binding study to recombinant CYP3A4.
Eur.J.Med.Chem., 220, 2021
5GT3
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BU of 5gt3 by Molmil
Crystal structure of nucleosome particle in the presence of human testis-specific histone variant, hTh2b
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-D, ...
Authors:Kumarevel, T, Sivaraman, P.
Deposit date:2016-08-18
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural analyses of the nucleosome complexes with human testis-specific histone variants, hTh2a and hTh2b
Biophys. Chem., 221, 2017
5GSU
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BU of 5gsu by Molmil
Crystal structure of nucleosome core particle consisting of human testis-specific histone variants, Th2A and Th2B
Descriptor: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-A, ...
Authors:Kumarevel, T, Sivaraman, P.
Deposit date:2016-08-17
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural analyses of the nucleosome complexes with human testis-specific histone variants, hTh2a and hTh2b
Biophys. Chem., 221, 2017

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