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6HJK
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BU of 6hjk by Molmil
Crystal Structure of Aurora-A L210C catalytic domain in complex with ASDO2
Descriptor: (~{E})-~{N}-[4-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-4-[4-fluoranyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-but-2-enamide, Aurora kinase A, CHLORIDE ION, ...
Authors:Bayliss, R, McIntyre, P.J.
Deposit date:2018-09-04
Release date:2018-10-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Type II Kinase Inhibitors Targeting Cys-Gatekeeper Kinases Display Orthogonality with Wild Type and Ala/Gly-Gatekeeper Kinases.
ACS Chem. Biol., 13, 2018
5RA4
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BU of 5ra4 by Molmil
PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11337a in complex with MAP kinase p38-alpha
Descriptor: (~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-04
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
9ECO
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BU of 9eco by Molmil
E. coli DnaB bound to three DnaG C-terminal domains, ssDNA, ADP and AlF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA primase, ...
Authors:Oakley, A.J, Xu, Z.Q.
Deposit date:2024-11-14
Release date:2024-12-11
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
To Be Published
5MMN
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BU of 5mmn by Molmil
E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[8-methyl-5-(2-methyl-pyridin-4-yl)-isoquinolin-3-yl]-urea
Descriptor: 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea, DNA gyrase subunit B
Authors:Panchaud, P, Bruyere, T, Blumstein, A.-C, Bur, D, Chambovey, A, Ertel, E.A, Gude, M, Hubschwerlen, C, Jacob, L, Kimmerlin, T, Pfeifer, T, Prade, L, Seiler, P, Ritz, D, Rueedi, G.
Deposit date:2016-12-12
Release date:2017-04-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery and Optimization of Isoquinoline Ethyl Ureas as Antibacterial Agents.
J. Med. Chem., 60, 2017
8SUB
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BU of 8sub by Molmil
E. coli SIR2-HerA complex (dodecamer SIR2 pentamer HerA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside triphosphate hydrolase, ...
Authors:Shen, Z.F, Lin, Q.P, Fu, T.M.
Deposit date:2023-05-11
Release date:2023-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
4PNC
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BU of 4pnc by Molmil
E. COLI METHIONINE AMINOPEPTIDASE IN COMPLEX WITH INHIBITOR 7-METHOXY-2-METHYLEN-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
Descriptor: (2S)-7-methoxy-2-methyl-3,4-dihydronaphthalen-1(2H)-one, COBALT (II) ION, Methionine aminopeptidase, ...
Authors:Scheidig, A.J, Altmeyer, M, Klein, C.D.
Deposit date:2014-05-23
Release date:2014-07-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Beta-aminoketones as prodrugs for selective irreversible inhibitors of type-1 methionine aminopeptidases.
Bioorg.Med.Chem.Lett., 24, 2014
8UAE
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BU of 8uae by Molmil
E. coli Sir2_HerA complex (12:6) with ATPgamaS
Descriptor: MAGNESIUM ION, Nucleoside triphosphate hydrolase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Shen, Z.F, Lin, Q.P, Fu, T.M.
Deposit date:2023-09-20
Release date:2023-12-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Assembly-mediated activation of the SIR2-HerA supramolecular complex for anti-phage defense.
Mol.Cell, 83, 2023
8TXO
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BU of 8txo by Molmil
E. coli DNA-directed RNA polymerase transcription elongation complex bound to the unnatural dZ-PTP base pair in the active site
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Aiyer, S, Shan, Z, Oh, J, Wang, D, Tan, Y.Z, Lyumkis, D.
Deposit date:2023-08-23
Release date:2024-01-24
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Overcoming resolution attenuation during tilted cryo-EM data collection.
Nat Commun, 15, 2024
1MMI
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BU of 1mmi by Molmil
E. COLI DNA POLYMERASE BETA SUBUNIT
Descriptor: DNA polymerase III, beta chain
Authors:Oakley, A.J, Prosselkov, P, Wijffels, G, Beck, J.L, Wilce, M.C.J, Dixon, N.E.
Deposit date:2002-09-04
Release date:2003-09-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Flexibility revealed by the 1.85 A crystal structure of the beta sliding-clamp subunit of Escherichia coli DNA polymerase III.
Acta Crystallogr.,Sect.D, 59, 2003
1KH9
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BU of 1kh9 by Molmil
E. COLI ALKALINE PHOSPHATASE MUTANT (D153GD330N) COMPLEX WITH PHOSPHATE
Descriptor: Alkaline phosphatase, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E.
Deposit date:2001-11-29
Release date:2002-03-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
1KHK
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BU of 1khk by Molmil
E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N)
Descriptor: Alkaline Phosphatase, MAGNESIUM ION, ZINC ION
Authors:Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C.
Deposit date:2001-11-30
Release date:2002-03-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
1KH7
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BU of 1kh7 by Molmil
E. COLI ALKALINE PHOSPHATASE MUTANT (D153GD330N)
Descriptor: MAGNESIUM ION, SULFATE ION, ZINC ION, ...
Authors:Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E.
Deposit date:2001-11-29
Release date:2002-03-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
1KHL
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BU of 1khl by Molmil
E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) COMPLEX WITH PHOSPHATE
Descriptor: Alkaline Phosphatase, PHOSPHATE ION, ZINC ION
Authors:Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C.
Deposit date:2001-11-30
Release date:2002-03-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
1PE6
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BU of 1pe6 by Molmil
REFINED X-RAY STRUCTURE OF PAPAIN(DOT)E-64-C COMPLEX AT 2.1-ANGSTROMS RESOLUTION
Descriptor: METHANOL, N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE, PAPAIN
Authors:Yamamoto, D, Matsumoto, K, Ohishi, H, Ishida, T, Inoue, M, Kitamura, K, Mizuno, H.
Deposit date:1991-05-14
Release date:1993-04-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Refined x-ray structure of papain.E-64-c complex at 2.1-A resolution.
J.Biol.Chem., 266, 1991
1KHN
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BU of 1khn by Molmil
E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) ZINC FORM
Descriptor: Alkaline phosphatase, ZINC ION
Authors:Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C.
Deposit date:2001-11-30
Release date:2002-03-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
2PIC
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BU of 2pic by Molmil
E. coli lytic transglycosylase MltA-D308A in apo-2 form
Descriptor: Membrane-bound lytic murein transglycosylase A
Authors:van Straaten, K.E, Dijkstra, B.W, Thunnissen, A.M.W.H.
Deposit date:2007-04-13
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of Escherichia coli Lytic transglycosylase MltA with bound chitohexaose: implications for peptidoglycan binding and cleavage
J.Biol.Chem., 282, 2007
1KH4
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BU of 1kh4 by Molmil
E. COLI ALKALINE PHOSPHATASE MUTANT (D330N) IN COMPLEX WITH PHOSPHATE
Descriptor: ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E.
Deposit date:2001-11-29
Release date:2002-03-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
1LN4
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BU of 1ln4 by Molmil
CRYSTAL STRUCTURE OF E. COLI YHBY
Descriptor: Hypothetical protein yhbY
Authors:Ostheimer, G.J, Barkan, A, Matthews, B.W.
Deposit date:2002-05-02
Release date:2002-05-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of E. coli YhbY: a representative of a novel class of RNA binding proteins
Structure, 10, 2002
5U6R
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BU of 5u6r by Molmil
E. coli CTP synthase CC mutant filament (product-bound)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CTP synthase, CYTIDINE-5'-TRIPHOSPHATE
Authors:Kollman, J.M, Lynch, E.M.
Deposit date:2016-12-08
Release date:2017-04-26
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Human CTP synthase filament structure reveals the active enzyme conformation.
Nat. Struct. Mol. Biol., 24, 2017
1QFG
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BU of 1qfg by Molmil
E. COLI FERRIC HYDROXAMATE RECEPTOR (FHUA)
Descriptor: 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ...
Authors:Ferguson, A.D, Welte, W, Hofmann, E, Lindner, B, Holst, O, Coulton, J.W, Diederichs, K.
Deposit date:1999-04-10
Release date:2000-07-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A conserved structural motif for lipopolysaccharide recognition by procaryotic and eucaryotic proteins.
Structure Fold.Des., 8, 2000
4E7G
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BU of 4e7g by Molmil
E. cloacae C115D/R120A MurA in the unliganded state
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Zhu, J.-Y, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Open-close transition of MurA
To be Published
4E7F
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BU of 4e7f by Molmil
E. cloacae C115D MurA in complex with UDP
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
Authors:Zhu, J.-Y, Betzi, S, Yang, Y, Schonbrunn, E.
Deposit date:2012-03-16
Release date:2013-03-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Open-close transition of MurA
To be Published
4Q65
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BU of 4q65 by Molmil
Structure of the E. coli Peptide Transporter YbgH
Descriptor: Dipeptide permease D
Authors:Zhang, C, Zhao, Y, Mao, G, Liu, M, Wang, X.
Deposit date:2014-04-21
Release date:2014-08-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of the E. coli peptide transporter YbgH.
Structure, 22, 2014
1QFF
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BU of 1qff by Molmil
E. COLI FERRIC HYDROXAMATE UPTAKE RECEPTOR (FHUA) IN COMPLEX WITH BOUND FERRICHROME-IRON
Descriptor: 2-AMINO-VINYL-PHOSPHATE, 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ...
Authors:Ferguson, A.D, Hofmann, E, Coulton, J.W, Diederichs, K, Welte, W.
Deposit date:1999-04-10
Release date:2000-07-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A conserved structural motif for lipopolysaccharide recognition by procaryotic and eucaryotic proteins.
Structure Fold.Des., 8, 2000
2PQ9
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BU of 2pq9 by Molmil
E. coli EPSPS liganded with (R)-difluoromethyl tetrahedral reaction intermediate analog
Descriptor: (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID
Authors:Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E.
Deposit date:2007-05-01
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007

238582

數據於2025-07-09公開中

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