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1EZF
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BU of 1ezf by Molmil
CRYSTAL STRUCTURE OF HUMAN SQUALENE SYNTHASE
Descriptor: FARNESYL-DIPHOSPHATE FARNESYLTRANSFERASE, N-{2-[TRANS-7-CHLORO-1-(2,2-DIMETHYL-PROPYL) -5-NAPHTHALEN-1-YL-2-OXO-1,2,3,5-TETRAHYDRO-BENZO[E] [1,4]OXAZEPIN-3-YL]-ACETYL}-ASPARTIC ACID
Authors:Pandit, J, Danley, D.E, Schulte, G.K, Mazzalupo, S.M, Pauly, T.A, Hayward, C.M, Hamanaka, E.S, Thompson, J.F, Harwood, H.J.
Deposit date:2000-05-10
Release date:2000-10-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of human squalene synthase. A key enzyme in cholesterol biosynthesis.
J.Biol.Chem., 275, 2000
1F00
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BU of 1f00 by Molmil
CRYSTAL STRUCTURE OF C-TERMINAL 282-RESIDUE FRAGMENT OF ENTEROPATHOGENIC E. COLI INTIMIN
Descriptor: INTIMIN
Authors:Luo, Y, Frey, E.A, Pfuetzner, R.A, Creagh, A.L, Knoechel, D.G, Haynes, C.A, Finlay, B.B, Strynadka, N.C.J.
Deposit date:2000-05-12
Release date:2000-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of enteropathogenic Escherichia coli intimin-receptor complex.
Nature, 405, 2000
7D9L
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BU of 7d9l by Molmil
Crystal structure of E. coli Grx2: Enzyme inhibited state in complex with Zinc and glutathione sulfinic acid
Descriptor: CHLORIDE ION, Glutaredoxin, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, ...
Authors:Sreekumar, S.N, Arockiasamy, A.
Deposit date:2020-10-13
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal structure of E. coli Grx2: Enzyme inhibited state in complex with Zinc and glutathione sulfinic acid
To Be Published
2UYN
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BU of 2uyn by Molmil
Crystal structure of E. coli TdcF with bound 2-ketobutyrate
Descriptor: 2-KETOBUTYRIC ACID, PROTEIN TDCF
Authors:Burman, J.D, Stevenson, C.E.M, Sawers, R.G, Lawson, D.M.
Deposit date:2007-04-11
Release date:2007-05-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure of Escherichia Coli Tdcf, a Member of the Highly Conserved Yjgf/Yer057C/Uk114 Family.
Bmc Struct.Biol., 7, 2007
7JN8
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BU of 7jn8 by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RGNTLVIVSR
Descriptor: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION
Authors:Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
Deposit date:2020-08-04
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
5T36
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BU of 5t36 by Molmil
Crystal structure of mPGES-1 bound to inhibitor
Descriptor: 4-chloro-2-[({(1S,2S)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid, GLUTATHIONE, Prostaglandin E synthase, ...
Authors:Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M.
Deposit date:2016-08-24
Release date:2017-03-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.
Bioorg. Med. Chem. Lett., 27, 2017
7JN9
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BU of 7jn9 by Molmil
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide QEHTGSQLRIAAYGP
Descriptor: Alkaline phosphatase peptide, Chaperone protein DnaK, SULFATE ION
Authors:Jansen, R.M, Ozden, C, Gierasch, L.M, Garman, S.C.
Deposit date:2020-08-04
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selective promiscuity in the binding of E. coli Hsp70 to an unfolded protein.
Proc.Natl.Acad.Sci.USA, 118, 2021
1RDX
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BU of 1rdx by Molmil
R-STATE STRUCTURE OF THE ARG 243 TO ALA MUTANT OF PIG KIDNEY FRUCTOSE 1,6-BISPHOSPHATASE EXPRESSED IN E. COLI
Descriptor: 6-O-phosphono-beta-D-fructofuranose, FRUCTOSE 1,6-BISPHOSPHATASE
Authors:Stec, B, Abraham, R, Giroux, E, Kantrowitz, E.R.
Deposit date:1996-05-17
Release date:1997-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structures of the active site mutant (Arg-243-->Ala) in the T and R allosteric states of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli.
Protein Sci., 5, 1996
5T37
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BU of 5t37 by Molmil
crystal structure of mPGES-1 bound to inhibitor
Descriptor: 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide, GLUTATHIONE, Prostaglandin E synthase, ...
Authors:Luz, J.G, Antonysamy, S, Partridge, K, Fisher, M.
Deposit date:2016-08-24
Release date:2017-03-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.761 Å)
Cite:Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1.
Bioorg. Med. Chem. Lett., 27, 2017
1OON
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BU of 1oon by Molmil
Nitroreductase from e-coli in complex with the dinitrobenzamide prodrug SN27217
Descriptor: 2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE, FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
Authors:Johansson, E, Parkinson, G.N, Denny, W.A, Neidle, S.
Deposit date:2003-03-04
Release date:2003-04-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Studies on the Nitroreductase Prodrug-Activating System. Crystal Structures of Complexes with the Inhibitor Dicoumarol and Dinitrobenzamide Prodrugs and of the Enzyme Active Form
J.Med.Chem., 46, 2003
3ZH7
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BU of 3zh7 by Molmil
The structure of crystal form II of Haemophilus influenzae protein E
Descriptor: 1,2-ETHANEDIOL, PROTEIN E
Authors:Singh, B, Al-Jubair, T, Riesbeck, K, Thunnissen, M.M.G.M.
Deposit date:2012-12-20
Release date:2013-04-17
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:The Unique Structure of Haemophilus Influenzae Protein E Reveals Multiple Binding Sites for Host Factors.
Infect.Immun., 81, 2013
5CCC
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BU of 5ccc by Molmil
wild-type E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate
Descriptor: 5,10-DIDEAZATETRAHYDROFOLIC ACID, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Oyen, D, Wright, P.E.
Deposit date:2015-07-01
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cofactor-Mediated Conformational Dynamics Promote Product Release From Escherichia coli Dihydrofolate Reductase via an Allosteric Pathway.
J.Am.Chem.Soc., 137, 2015
1PS7
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BU of 1ps7 by Molmil
Crystal structure of E.coli PdxA
Descriptor: 4-hydroxythreonine-4-phosphate dehydrogenase, ZINC ION
Authors:Sivaraman, J, Li, Y, Banks, J, Cane, D.E, Matte, A, Cygler, M.
Deposit date:2003-06-20
Release date:2003-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal Structure of Escherichia coli PdxA, an Enzyme Involved in the Pyridoxal Phosphate Biosynthesis Pathway
J.Biol.Chem., 278, 2003
1RDZ
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BU of 1rdz by Molmil
T-STATE STRUCTURE OF THE ARG 243 TO ALA MUTANT OF PIG KIDNEY FRUCTOSE 1,6-BISPHOSPHATASE EXPRESSED IN E. COLI
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, FRUCTOSE 1,6-BISPHOSPHATASE
Authors:Stec, B, Abraham, R, Giroux, E, Kantrowitz, E.R.
Deposit date:1996-05-17
Release date:1997-01-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of the active site mutant (Arg-243-->Ala) in the T and R allosteric states of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli.
Protein Sci., 5, 1996
3ZJT
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BU of 3zjt by Molmil
Ternary complex of E.coli leucyl-tRNA synthetase, tRNA(Leu)574 and the benzoxaborole AN3017 in the editing conformation
Descriptor: LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR
Authors:Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZJU
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BU of 3zju by Molmil
Ternary complex of E .coli leucyl-tRNA synthetase, tRNA(Leu) and the benzoxaborole AN3016 in the editing conformation
Descriptor: LEUCYL-TRNA SYNTHETASE, MAGNESIUM ION, TRNALEU5 UAA ISOACCEPTOR
Authors:Cusack, S, Palencia, A, Crepin, T, Hernandez, V, Akama, T, Baker, S.J, Bu, W, Feng, L, Freund, Y.R, Liu, L, Meewan, M, Mohan, M, Mao, W, Rock, F.L, Sexton, H, Sheoran, A, Zhang, Y, Zhang, Y, Zhou, Y, Nieman, J.A, Anugula, M.R, Keramane, E.M, Savariraj, K, Reddy, D.S, Sharma, R, Subedi, R, Singh, R, OLeary, A, Simon, N.L, DeMarsh, P.L, Mushtaq, S, Warner, M, Livermore, D.M, Alley, M.R.K, Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
2V0D
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BU of 2v0d by Molmil
Crystal structure of human CDK2 complexed with a thiazolidinone inhibitor
Descriptor: 2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE, CELL DIVISION PROTEIN KINASE 2, CHLORIDE ION
Authors:Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E.
Deposit date:2007-05-14
Release date:2007-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Potent Cdk2 Inhibitor with a Novel Binding Mode, Using Virtual Screening and Initial, Structure-Guided Lead Scoping.
Bioorg.Med.Chem.Lett., 17, 2007
5VPX
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BU of 5vpx by Molmil
I38T mutant of 2009 H1N1 PA Endonuclease in complex with RO-7
Descriptor: 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Kumar, G, White, S.W.
Deposit date:2017-05-06
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
5VQN
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BU of 5vqn by Molmil
E119D mutant of 2009 H1N1 PA Endonuclease in complex with RO-7
Descriptor: 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Kumar, G, White, S.W.
Deposit date:2017-05-09
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
2UYJ
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BU of 2uyj by Molmil
Crystal structure of E. coli TdcF with bound ethylene glycol
Descriptor: 1,2-ETHANEDIOL, PROTEIN TDCF
Authors:Burman, J.D, Stevenson, C.E.M, Sawers, R.G, Lawson, D.M.
Deposit date:2007-04-10
Release date:2007-05-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Crystal Structure of Escherichia Coli Tdcf, a Member of the Highly Conserved Yjgf/Yer057C/Uk114 Family.
Bmc Struct.Biol., 7, 2007
1T3C
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BU of 1t3c by Molmil
Clostridium botulinum type E catalytic domain E212Q mutant
Descriptor: CHLORIDE ION, ZINC ION, neurotoxin type E
Authors:Agarwal, R, Eswaramoorthy, S, Kumaran, D, Binz, T, Swaminathan, S.
Deposit date:2004-04-26
Release date:2004-06-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of botulinum neurotoxin type E catalytic domain and its mutant Glu212-->Gln reveals the pivotal role of the Glu212 carboxylate in the catalytic pathway
Biochemistry, 43, 2004
2UYP
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BU of 2uyp by Molmil
Crystal structure of E. coli TdcF with bound propionate
Descriptor: PROPANOIC ACID, PROTEIN TDCF
Authors:Burman, J.D, Stevenson, C.E.M, Sawers, R.G, Lawson, D.M.
Deposit date:2007-04-11
Release date:2007-05-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:The Crystal Structure of Escherichia Coli Tdcf, a Member of the Highly Conserved Yjgf/Yer057C/Uk114 Family.
Bmc Struct.Biol., 7, 2007
4GX8
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BU of 4gx8 by Molmil
Crystal structure of a DNA polymerase III alpha-epsilon chimera
Descriptor: CHLORIDE ION, DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha
Authors:Robinson, A, Horan, N, Xu, Z.-Q, Dixon, N.E, Oakley, A.J.
Deposit date:2012-09-04
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain
Nucleic Acids Res., 41, 2013
2UYK
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BU of 2uyk by Molmil
Crystal structure of E. coli TdcF with bound serine
Descriptor: PROTEIN TDCF, SERINE
Authors:Burman, J.D, Stevenson, C.E.M, Sawers, R.G, Lawson, D.M.
Deposit date:2007-04-10
Release date:2007-05-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure of Escherichia Coli Tdcf, a Member of the Highly Conserved Yjgf/Yer057C/Uk114 Family.
Bmc Struct.Biol., 7, 2007
1RDY
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BU of 1rdy by Molmil
T-STATE STRUCTURE OF THE ARG 243 TO ALA MUTANT OF PIG KIDNEY FRUCTOSE 1,6-BISPHOSPHATASE EXPRESSED IN E. COLI
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, FRUCTOSE 1,6-BISPHOSPHATASE
Authors:Stec, B, Abraham, R, Giroux, E, Kantrowitz, E.R.
Deposit date:1996-05-17
Release date:1997-01-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the active site mutant (Arg-243-->Ala) in the T and R allosteric states of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli.
Protein Sci., 5, 1996

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数据于2024-07-10公开中

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