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1TX2
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BU of 1tx2 by Molmil
Dihydropteroate Synthetase, With Bound Inhibitor MANIC, From Bacillus anthracis
Descriptor: 6-METHYLAMINO-5-NITROISOCYTOSINE, DHPS, Dihydropteroate synthase, ...
Authors:Babaoglu, K, Qi, J, Lee, R.E, White, S.W.
Deposit date:2004-07-01
Release date:2004-09-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure of 7,8-Dihydropteroate Synthase from Bacillus anthracis; Mechanism and Novel Inhibitor Design.
STRUCTURE, 12, 2004
4M5L
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BU of 4m5l by Molmil
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-{[2-(2-methylphenyl)-2-oxoethyl]sulfanyl}-1,7-dihydro-6H-purin-6-one, CALCIUM ION, ...
Authors:Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.094 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4M5K
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BU of 4m5k by Molmil
The Identification, Analysis and Structure-Based Development of Novel Inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one, CALCIUM ION, ...
Authors:Yun, M, Hoagland, D, Kumar, G, Waddell, B, Rock, C.O, Lee, R.E, White, S.W.
Deposit date:2013-08-08
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.296 Å)
Cite:The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.
Bioorg.Med.Chem., 22, 2014
4N8M
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BU of 4n8m by Molmil
Structural polymorphism in the N-terminal oligomerization domain of NPM1
Descriptor: COBALT (II) ION, Nucleophosmin
Authors:Mitrea, D, Royappa, G, Buljan, M, Yun, M, Pytel, N, Satumba, J, Nourse, A, Park, C, Babu, M.M, White, S.W, Kriwacki, R.W.
Deposit date:2013-10-17
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Structural polymorphism in the N-terminal oligomerization domain of NPM1.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NHV
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BU of 4nhv by Molmil
Crystal structure of B. anthracis DHPS with interfacial compound 4: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine
Descriptor: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine, Dihydropteroate synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-05
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4NIL
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BU of 4nil by Molmil
Crystal structure of B. anthracis DHPS with compound 5: 4-[(trifluoromethyl)sulfanyl]benzamide
Descriptor: 4-[(trifluoromethyl)sulfanyl]benzamide, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-06
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4NIR
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BU of 4nir by Molmil
Crystal structure of B. anthracis DHPS with compound 6: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol
Descriptor: 3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-06
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.772 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4NL1
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BU of 4nl1 by Molmil
Crystal structure of B. anthracis DHPS with compound 11: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine
Descriptor: (E)-N-[4-(trifluoromethyl)benzyl]-1-[4-(trifluoromethyl)phenyl]methanimine, Dihydropteroate Synthase, SULFATE ION
Authors:Hammoudeh, D.I, White, S.W.
Deposit date:2013-11-13
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4Q9N
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BU of 4q9n by Molmil
Crystal structure of Chlamydia trachomatis enoyl-ACP reductase (FabI) in complex with NADH and AFN-1252
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide
Authors:Yao, J, Abdelrahman, Y, Robertson, R.M, Cox, J.V, Belland, R.J, White, S.W, Rock, C.O.
Deposit date:2014-05-01
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Type II Fatty Acid Synthesis Is Essential for the Replication of Chlamydia trachomatis.
J.Biol.Chem., 289, 2014
1D2N
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BU of 1d2n by Molmil
D2 DOMAIN OF N-ETHYLMALEIMIDE-SENSITIVE FUSION PROTEIN
Descriptor: GLYCEROL, MAGNESIUM ION, N-ETHYLMALEIMIDE-SENSITIVE FUSION PROTEIN, ...
Authors:Lenzen, C.U, Steinmann, D, Whiteheart, S.W, Weis, W.I.
Deposit date:1998-06-30
Release date:1998-10-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the hexamerization domain of N-ethylmaleimide-sensitive fusion protein.
Cell(Cambridge,Mass.), 94, 1998
1QDN
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BU of 1qdn by Molmil
AMINO TERMINAL DOMAIN OF THE N-ETHYLMALEIMIDE SENSITIVE FUSION PROTEIN (NSF)
Descriptor: BETA-MERCAPTOETHANOL, PROTEIN (N-ETHYLMALEIMIDE SENSITIVE FUSION PROTEIN (NSF)), SULFATE ION
Authors:May, A.P, Misura, K.M.S, Whiteheart, S.W, Weis, W.I.
Deposit date:1999-05-21
Release date:1999-06-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the amino-terminal domain of N-ethylmaleimide-sensitive fusion protein.
Nat.Cell Biol., 1, 1999
1EG0
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BU of 1eg0 by Molmil
FITTING OF COMPONENTS WITH KNOWN STRUCTURE INTO AN 11.5 A CRYO-EM MAP OF THE E.COLI 70S RIBOSOME
Descriptor: FORMYL-METHIONYL-TRNA, FRAGMENT OF 16S RRNA HELIX 23, FRAGMENT OF 23S RRNA, ...
Authors:Gabashvili, I.S, Agrawal, R.K, Spahn, C.M.T, Grassucci, R.A, Svergun, D.I, Frank, J, Penczek, P.
Deposit date:2000-02-11
Release date:2000-03-06
Last modified:2024-02-07
Method:ELECTRON MICROSCOPY (11.5 Å)
Cite:Solution structure of the E. coli 70S ribosome at 11.5 A resolution.
Cell(Cambridge,Mass.), 100, 2000
1BM9
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BU of 1bm9 by Molmil
REPLICATION TERMINATOR PROTEIN FROM BACILLUS SUBTILIS
Descriptor: REPLICATION TERMINATOR PROTEIN
Authors:Bussiere, D.E, Bastia, D, White, S.
Deposit date:1998-07-29
Release date:1999-01-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the replication terminator protein from B. subtilis at 2.6 A.
Cell(Cambridge,Mass.), 80, 1995
4X9X
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BU of 4x9x by Molmil
Biochemical Roles for Conserved Residues in the Bacterial Fatty Acid Binding Protein Family
Descriptor: 1,2-ETHANEDIOL, DegV domain-containing protein MW1315, OLEIC ACID
Authors:Broussard, T.C, Miller, D.J, Jackson, P, Nourse, A, Rock, C.O.
Deposit date:2014-12-11
Release date:2016-01-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Biochemical Roles for Conserved Residues in the Bacterial Fatty Acid-binding Protein Family.
J.Biol.Chem., 291, 2016
487D
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BU of 487d by Molmil
SEVEN RIBOSOMAL PROTEINS FITTED TO A CRYO-ELECTRON MICROSCOPIC MAP OF THE LARGE 50S SUBUNIT AT 7.5 ANGSTROMS RESOLUTION
Descriptor: 50S ribosomal protein L1, 50S ribosomal protein L11, 50S ribosomal protein L14, ...
Authors:Brimacombe, R, Mueller, F.
Deposit date:2000-02-23
Release date:2000-04-10
Last modified:2023-06-07
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:The 3D arrangement of the 23 S and 5 S rRNA in the Escherichia coli 50 S ribosomal subunit based on a cryo-electron microscopic reconstruction at 7.5 A resolution.
J.Mol.Biol., 298, 2000
5W9G
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BU of 5w9g by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9k (SRI-30023)
Descriptor: 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide, CHLORIDE ION, MANGANESE (II) ION, ...
Authors:Kumar, G, White, S.
Deposit date:2017-06-23
Release date:2017-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5W73
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BU of 5w73 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9f (SRI-29835)
Descriptor: 2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Kumar, G, White, S.
Deposit date:2017-06-19
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5W92
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BU of 5w92 by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with an inhibitor - SRI-30049
Descriptor: 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one, 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, ...
Authors:Kumar, G, White, S.
Deposit date:2017-06-22
Release date:2018-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
5W7U
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BU of 5w7u by Molmil
Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 8f (SRI-29928)
Descriptor: 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy rimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kumar, G, White, S.
Deposit date:2017-06-20
Release date:2017-12-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
6NXD
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BU of 6nxd by Molmil
TYPE I L-ASPARAGINASE FROM ESCHERICHIA COLI IN COMPLEX WITH CITRATE AT PH 4
Descriptor: 1,2-ETHANEDIOL, ASPARAGINE, CHLORIDE ION, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
3IO5
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BU of 3io5 by Molmil
Crystal Structure of a dimeric form of the uvsX Recombinase core domain from Enterobacteria Phage T4
Descriptor: PHOSPHATE ION, Recombination and repair protein
Authors:Gajewski, S.
Deposit date:2009-08-13
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Phage T4 Recombinase UvsX and Its Functional Interaction with the T4 SF2 Helicase UvsW.
J.Mol.Biol., 405, 2011
2M03
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BU of 2m03 by Molmil
Solution structure of BCL-xL determined with selective isotope labelling of I,L,V sidechains
Descriptor: Bcl-2-like protein 1
Authors:Viacava Follis, A, Royappa, G, Kriwacki, R.W.
Deposit date:2012-10-19
Release date:2013-01-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:PUMA binding induces partial unfolding within BCL-xL to disrupt p53 binding and promote apoptosis.
Nat.Chem.Biol., 9, 2013
2M04
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BU of 2m04 by Molmil
Solution structure of BCL-xL in complex with PUMA BH3 peptide
Descriptor: Bcl-2-binding component 3, Bcl-2-like protein 1
Authors:Viacava Follis, A, Royappa, G, Kriwacki, R.W.
Deposit date:2012-10-19
Release date:2013-01-30
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:PUMA binding induces partial unfolding within BCL-xL to disrupt p53 binding and promote apoptosis.
Nat.Chem.Biol., 9, 2013
6NX9
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BU of 6nx9 by Molmil
ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 7
Descriptor: ACETIC ACID, GLYCEROL, IMIDAZOLE, ...
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2020-08-19
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019
6NXB
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BU of 6nxb by Molmil
ECAII IN COMPLEX WITH CITRATE AT PH 7
Descriptor: CITRIC ACID, GLYCEROL, L-asparaginase 2
Authors:Lubkowski, J, Wlodawer, A.
Deposit date:2019-02-08
Release date:2019-08-07
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Opportunistic complexes of E. coli L-asparaginases with citrate anions.
Sci Rep, 9, 2019

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