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6BS2
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BU of 6bs2 by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b
Descriptor: 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-12-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BRF
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BU of 6brf by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-11-30
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6BRY
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BU of 6bry by Molmil
Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a
Descriptor: 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2017-12-01
Release date:2018-06-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
6CLU
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BU of 6clu by Molmil
Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure
Descriptor: Dihydropteroate synthase
Authors:Gajewski, S, Griffith, E.C, Wu, Y, White, S.W.
Deposit date:2018-03-02
Release date:2018-08-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Structural and Functional Basis for Recurring Sulfa Drug Resistance Mutations inStaphylococcus aureusDihydropteroate Synthase.
Front Microbiol, 9, 2018
6CNG
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BU of 6cng by Molmil
The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution
Descriptor: ACETATE ION, Fatty Acid Kinase (Fak) B3 protein, GLYCEROL, ...
Authors:Cuypers, M.G, Subramanian, C, White, S.W, Rock, C.O.
Deposit date:2018-03-08
Release date:2019-07-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution
To Be Published
1BJA
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BU of 1bja by Molmil
ACTIVATION DOMAIN OF THE PHAGE T4 TRANSCRIPTION FACTOR MOTA
Descriptor: SULFATE ION, TRANSCRIPTION REGULATORY PROTEIN MOTA
Authors:Finnin, M.S, Cicero, M.P, Davies, C, Porter, S.J, White, S.W, Kreuzer, K.N.
Deposit date:1998-06-23
Release date:1998-11-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The activation domain of the MotA transcription factor from bacteriophage T4.
EMBO J., 16, 1997
1EBL
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BU of 1ebl by Molmil
THE 1.8 A CRYSTAL STRUCTURE AND ACTIVE SITE ARCHITECTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE III (FABH) FROM ESCHERICHIA COLI
Descriptor: BETA-KETOACYL-ACP SYNTHASE III, COENZYME A
Authors:Davies, C, Heath, R.J, White, S.W, Rock, C.O.
Deposit date:2000-01-24
Release date:2000-02-11
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The 1.8 A crystal structure and active-site architecture of beta-ketoacyl-acyl carrier protein synthase III (FabH) from escherichia coli.
Structure Fold.Des., 8, 2000
1FJ8
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BU of 1fj8 by Molmil
THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH CERULENIN, IMPLICATIONS FOR DRUG DESIGN
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I
Authors:Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O.
Deposit date:2000-08-07
Release date:2000-08-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism.
J.Biol.Chem., 276, 2001
1FJ4
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BU of 1fj4 by Molmil
THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH THIOLACTOMYCIN, IMPLICATIONS FOR DRUG DESIGN
Descriptor: BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I, THIOLACTOMYCIN
Authors:Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O.
Deposit date:2000-08-07
Release date:2000-08-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism.
J.Biol.Chem., 276, 2001
1G5X
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BU of 1g5x by Molmil
The Structure of Beta-Ketoacyl-[Acyl Carrier Protein] Synthase I
Descriptor: BETA-KETOACYL ACYL CARRIER PROTEIN SYNTHASE I
Authors:Zhang, Y.M, Rao, M.S, Heath, R.J, Price, A.C, Olson, A.J, Rock, C.O, White, S.W.
Deposit date:2000-11-02
Release date:2000-11-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification and analysis of the acyl carrier protein (ACP) docking site on beta-ketoacyl-ACP synthase III.
J.Biol.Chem., 276, 2001
1HD8
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BU of 1hd8 by Molmil
Crystal structure of a deacylation-defective mutant of penicillin-binding protein 5 at 2.3 A resolution
Descriptor: PENICILLIN-BINDING PROTEIN 5
Authors:Davies, C, White, S.W, Nicholas, R.A.
Deposit date:2000-11-11
Release date:2001-11-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of a Deacylation-Defective Mutant of Penicillin-Binding Protein 5 at 2.3-A Resolution
J.Biol.Chem., 276, 2001
3S13
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BU of 3s13 by Molmil
Crystal structure of H5N1 influenza virus hemagglutinin, strain YU562 crystal form 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:DuBois, R.M, Zaraket, H, Reddivari, M, Heath, R.J, White, S.W, Russell, C.J.
Deposit date:2011-05-14
Release date:2011-12-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity.
Plos Pathog., 7, 2011
3S12
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BU of 3s12 by Molmil
Crystal structure of H5N1 influenza virus hemagglutinin, strain YU562 crystal form 1
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 HA1 chain, ...
Authors:DuBois, R.M, Zaraket, H, Reddivari, M, Heath, R.J, White, S.W, Russell, C.J.
Deposit date:2011-05-14
Release date:2011-12-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity.
Plos Pathog., 7, 2011
3S11
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BU of 3s11 by Molmil
Crystal structure of H5N1 influenza virus hemagglutinin, strain 437-10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:DuBois, R.M, Zaraket, H, Reddivari, M, Heath, R.J, White, S.W, Russell, C.J.
Deposit date:2011-05-14
Release date:2011-12-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity.
Plos Pathog., 7, 2011
3SQ5
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BU of 3sq5 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H432N Mutant
Descriptor: Tyrosyl-DNA phosphodiesterase 1
Authors:Gajewski, S, White, S.W.
Deposit date:2011-07-04
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
3SQ8
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BU of 3sq8 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase 1 H432R Mutant (SCAN1 Mutant)
Descriptor: Tyrosyl-DNA phosphodiesterase 1
Authors:Gajewski, S, White, S.W.
Deposit date:2011-07-05
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
3SQ7
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BU of 3sq7 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H432N_Glu Mutant
Descriptor: SULFATE ION, Tyrosyl-DNA phosphodiesterase 1
Authors:Gajewski, S, White, S.W.
Deposit date:2011-07-05
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
3SQ3
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BU of 3sq3 by Molmil
Crystal Structure Analysis of the Yeast Tyrosyl-DNA Phosphodiesterase H182A Mutant
Descriptor: Tyrosyl-DNA phosphodiesterase 1
Authors:Gajewski, S, White, S.W.
Deposit date:2011-07-04
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Analysis of the active-site mechanism of tyrosyl-DNA phosphodiesterase I: a member of the phospholipase D superfamily.
J.Mol.Biol., 415, 2012
3TYB
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BU of 3tyb by Molmil
Dihydropteroate Synthase in complex with pHBA and DHP+
Descriptor: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, Dihydropteroate synthase, P-HYDROXYBENZOIC ACID, ...
Authors:Yun, M.-K, White, S.W.
Deposit date:2011-09-24
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TYE
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BU of 3tye by Molmil
Dihydropteroate Synthase in complex with DHP-STZ
Descriptor: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide, ...
Authors:Yun, M.-K, White, S.W.
Deposit date:2011-09-24
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TS3
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BU of 3ts3 by Molmil
Crystal structure of the projection domain of the turkey astrovirus capsid protein at 1.5 angstrom resolution
Descriptor: Capsid polyprotein, SULFATE ION
Authors:DuBois, R.M, Schultz-Cherry, S, White, S.W.
Deposit date:2011-09-12
Release date:2011-09-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal structure of the avian astrovirus capsid spike.
J.Virol., 87, 2013
3TYC
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BU of 3tyc by Molmil
Dihydropteroate Synthase in complex with DHP+
Descriptor: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
Authors:Yun, M.-K, White, S.W.
Deposit date:2011-09-24
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3TYD
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BU of 3tyd by Molmil
Dihydropteroate Synthase in complex with PPi and DHP+
Descriptor: 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, Dihydropteroate synthase, PYROPHOSPHATE 2-, ...
Authors:Yun, M.-K, White, S.W.
Deposit date:2011-09-24
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
3UPU
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BU of 3upu by Molmil
Crystal structure of the T4 Phage SF1B Helicase Dda
Descriptor: 5'-D(*TP*TP*TP*TP*TP*TP*TP*T)-3', ATP-dependent DNA helicase dda
Authors:He, X, Yun, M.K, Pemble IV, C.W, Kreuzer, K.N, Raney, K.D, White, S.W.
Deposit date:2011-11-18
Release date:2012-06-20
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (3.299 Å)
Cite:The T4 Phage SF1B Helicase Dda Is Structurally Optimized to Perform DNA Strand Separation.
Structure, 20, 2012
3V5O
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BU of 3v5o by Molmil
Structural and Mechanistic Studies of Catalysis and Sulfa Drug Resistance in Dihydropteroate Synthase
Descriptor: Dihydropteroate synthase, SULFATE ION
Authors:Yun, M, Wu, Y, Li, Z, Zhao, Y, Waddell, M.B, Ferreira, A.M, Lee, R.E, Bashford, D, White, S.W.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012

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