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PDB: 6628 件
1PWD
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BU of 1pwd by Molmil
Covalent acyl enzyme complex of the Streptomyces R61 DD-peptidase with cephalosporin C
分子名称: (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, D-alanyl-D-alanine carboxypeptidase precursor
著者Silvaggi, N.R, Josephine, H.R, Pratt, R.F, Kelly, J.A.
登録日2003-07-01
公開日2004-07-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structures of complexes between the R61 DD-peptidase and peptidoglycan-mimetic beta-lactams: a non-covalent complex with a "perfect penicillin"
J.Mol.Biol., 345, 2005
5TPA
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BU of 5tpa by Molmil
Structure of the human GluN1/GluN2A LBD in complex with compound 9 (GNE3500)
分子名称: (1R,2R)-2-(2-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-6-yl)cyclopropane-1-carbonitrile, GLUTAMIC ACID, GLYCINE, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-10-20
公開日2016-11-30
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献GluN2A-Selective Pyridopyrimidinone Series of NMDAR Positive Allosteric Modulators with an Improved in Vivo Profile.
ACS Med Chem Lett, 8, 2017
5TYD
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BU of 5tyd by Molmil
DNA Polymerase Mu Reactant Complex, 10 mM Mg2+ (45 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2016-11-19
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
2VYU
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BU of 2vyu by Molmil
CRYSTAL STRUCTURE OF CHOLINE BINDING PROTEIN F FROM STREPTOCOCCUS PNEUMONIAE IN THE PRESENCE OF A PEPTIDOGLYCAN ANALOGUE (TETRASACCHARIDE-PENTAPEPTIDE)
分子名称: CHOLINE BINDING PROTEIN F, CHOLINE ION
著者Perez-Dorado, I, Molina, R, Hermoso, J.A, Mobashery, S.
登録日2008-07-28
公開日2009-02-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Cbpf, a Bifunctional Choline-Binding Protein and Autolysis Regulator from Streptococcus Pneumoniae.
Embo Rep., 10, 2009
5TYC
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BU of 5tyc by Molmil
DNA Polymerase Mu Reactant Complex, 10mM Mg2+ (15 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2016-11-19
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
5TYX
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BU of 5tyx by Molmil
DNA Polymerase Mu Product Complex, Mn2+ (15 min)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ...
著者Jamsen, J.A, Wilson, S.H.
登録日2016-11-21
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
5U06
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BU of 5u06 by Molmil
Grb7-SH2 with bicyclic peptide inhibitor containing a pY mimetic
分子名称: Growth factor receptor-bound protein 7, POTASSIUM ION, bicyclic peptide inhibitor: LYS-PHE-GLU-GLY-CMF-ASP-ASN-GLU-CST
著者Watson, G.M, Wilce, J.A.
登録日2016-11-22
公開日2017-11-15
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target.
J. Med. Chem., 60, 2017
5TUJ
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BU of 5tuj by Molmil
Ancestral Cationic Amino Acid Solute Binding Protein (AncCDT-1)
分子名称: Ancestral protein CDT-Anc1
著者Kaczmarski, J.A, Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2016-11-06
公開日2017-12-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.352 Å)
主引用文献Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
5TXZ
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BU of 5txz by Molmil
DNA Polymerase Mu Reactant Complex, 100mM Mg2+ (15 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2016-11-17
公開日2017-08-30
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
5TUG
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BU of 5tug by Molmil
Archaellum periplasmic stator protein complex FlaF and FlaG from Sulfolobus acidocaldarius
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Flagellar biosynthesis protein FlaF, ...
著者Tsai, C.-L, Tainer, J.A.
登録日2016-11-06
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献The structure of the periplasmic FlaG-FlaF complex and its essential role for archaellar swimming motility.
Nat Microbiol, 5, 2020
5TX9
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BU of 5tx9 by Molmil
Crystal structure of S. aureus penicillin binding protein 4 (PBP4) mutant (E183A, F241R) in complex with ceftobiprole
分子名称: (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein 4, SODIUM ION, ...
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2016-11-16
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and kinetic analysis of penicillin-binding protein 4 (PBP4)-mediated antibiotic resistance inStaphylococcus aureus.
J. Biol. Chem., 2018
1S0Q
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BU of 1s0q by Molmil
Native Bovine Pancreatic Trypsin
分子名称: CALCIUM ION, Trypsinogen
著者Garcia-Granda, S, Chamorro Gavilanes, J.A.
登録日2004-01-02
公開日2005-01-18
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Pancratic bovine Trypsin native and inhibited with Benzamidine from synchotron data.
To be Published
5U8V
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BU of 5u8v by Molmil
Dihydrolipoamide dehydrogenase (LpdG) from Pseudomonas aeruginosa bound to NAD+
分子名称: DIMETHYL SULFOXIDE, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Glasser, N.R, Wang, B.X, Hoy, J.A, Newman, D.K.
登録日2016-12-15
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Pyruvate and alpha-Ketoglutarate Dehydrogenase Complexes of Pseudomonas aeruginosa Catalyze Pyocyanin and Phenazine-1-carboxylic Acid Reduction via the Subunit Dihydrolipoamide Dehydrogenase.
J. Biol. Chem., 292, 2017
5U9U
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BU of 5u9u by Molmil
De Novo Three-stranded Coiled Coil Peptide Containing a Tris-thiolate Site Engineered by D-Cysteine Ligands
分子名称: Apo-(CoilSer L16(DCY))3, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ...
著者Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2016-12-18
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils.
Chemistry, 23, 2017
5KDT
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BU of 5kdt by Molmil
Structure of the human GluN1/GluN2A LBD in complex with GNE0723
分子名称: (1~{R},2~{R})-2-[7-[[5-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxidanylidene-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile, ACETATE ION, GLUTAMIC ACID, ...
著者Wallweber, H.J.A, Lupardus, P.J.
登録日2016-06-08
公開日2016-07-13
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Discovery of GluN2A-Selective NMDA Receptor Positive Allosteric Modulators (PAMs): Tuning Deactivation Kinetics via Structure-Based Design.
J. Med. Chem., 59, 2016
7KCX
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BU of 7kcx by Molmil
Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L) in complex with cefoxitin
分子名称: (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ...
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2020-10-07
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus.
J.Antimicrob.Chemother., 76, 2021
3N37
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BU of 3n37 by Molmil
Ribonucleotide Reductase Dimanganese(II)-NrdF from Escherichia coli
分子名称: GLYCEROL, MANGANESE (II) ION, Ribonucleoside-diphosphate reductase 2 subunit beta
著者Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C.
登録日2010-05-19
公開日2010-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for activation of class Ib ribonucleotide reductase.
Science, 329, 2010
7KCV
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BU of 7kcv by Molmil
Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) mutant (R200L)
分子名称: Penicillin-binding protein 4, ZINC ION
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2020-10-07
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus.
J.Antimicrob.Chemother., 76, 2021
7KCY
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BU of 7kcy by Molmil
Crystal structure of S. aureus penicillin-binding protein 4 (PBP4) with cefoxitin
分子名称: (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, GLYCEROL, Penicillin-binding protein 4, ...
著者Alexander, J.A.N, Strynadka, N.C.J.
登録日2020-10-07
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献PBP4-mediated beta-lactam resistance among clinical strains of Staphylococcus aureus.
J.Antimicrob.Chemother., 76, 2021
3N38
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BU of 3n38 by Molmil
Ribonucleotide Reductase NrdF from Escherichia coli Soaked with Ferrous Ions
分子名称: FE (II) ION, Ribonucleoside-diphosphate reductase 2 subunit beta
著者Boal, A.K, Cotruvo Jr, J.A, Stubbe, J, Rosenzweig, A.C.
登録日2010-05-19
公開日2010-08-18
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for activation of class Ib ribonucleotide reductase.
Science, 329, 2010
5TXX
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BU of 5txx by Molmil
DNA Polymerase Mu Pre-Catalytic Ground State Ternary Complex, Ca2+
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2016-11-17
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
5U1Q
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BU of 5u1q by Molmil
Grb7-SH2 with bicyclic peptide inhibitor
分子名称: CHLORIDE ION, Growth factor receptor-bound protein 7, LYS-PHE-GLU-GLY-TYR-ASP-ASN-GLU-CST
著者Watson, G.M, Wilce, M.C.J, Wilce, J.A.
登録日2016-11-28
公開日2017-11-15
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of Grb7 Cancer Target.
J. Med. Chem., 60, 2017
4CGO
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BU of 4cgo by Molmil
Leishmania major N-myristoyltransferase in complex with a thienopyrimidine inhibitor
分子名称: 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
著者Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J.
登録日2013-11-25
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
4CGM
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BU of 4cgm by Molmil
Leishmania major N-myristoyltransferase in complex with a biphenyl- derivative inhibitor
分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-[[3-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylmethyl)phenyl]phenyl]methyl]-2-pyridin-3-yl-ethanamine, ...
著者Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J.
登録日2013-11-25
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
2WKN
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BU of 2wkn by Molmil
gamma lactamase from Delftia acidovorans
分子名称: FORMAMIDASE, ZINC ION
著者Isupov, M.N, Line, K, Gonsalvez, I.S, Gange-Harris, P, Lanzotti, M, Saneei, V, Littlechild, J.A.
登録日2009-06-16
公開日2010-09-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献The Structure of Gamma Lactamase from Delftia Acidovorans
To be Published

222926

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