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4JV0
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BU of 4jv0 by Molmil
Ring-Opening of the -OH-PdG Adduct in Ternary Complexes with the Sulfolobus solfataricus DNA polymerase Dpo4
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), ...
著者Banerjee, S, Shanmugam, G, Stone, M.P.
登録日2013-03-25
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Ring-Opening of the gamma-OH-PdG Adduct Promotes Error-Free Bypass by the Sulfolobus solfataricus DNA Polymerase Dpo4.
Chem.Res.Toxicol., 26, 2013
4HEF
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BU of 4hef by Molmil
Structure of avibactam bound to Pseudomonas aeruginosa AmpC
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL
著者Lahiri, S.D.
登録日2012-10-03
公開日2013-06-05
最終更新日2020-09-16
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural Insight into Potent Broad-Spectrum Inhibition with Reversible Recyclization Mechanism: Avibactam in Complex with CTX-M-15 and Pseudomonas aeruginosa AmpC beta-Lactamases
Antimicrob.Agents Chemother., 57, 2013
4HEW
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BU of 4hew by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
分子名称: 2-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
著者Aggarwal, M, McKenna, R.
登録日2012-10-04
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6984 Å)
主引用文献Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4GVW
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BU of 4gvw by Molmil
Three-dimensional structure of the de novo designed serine hydrolase 2bfq_3, Northeast Structural Genomics Consortium (NESG) Target OR248
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, De novo designed serine hydrolase, ...
著者Kuzin, A, Lew, S, Seetharaman, J, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-08-31
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Northeast Structural Genomics Consortium Target OR248
To be Published
2QKV
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BU of 2qkv by Molmil
Crystal Structure of the C645S Mutant of the 5th PDZ Domain of InaD
分子名称: Inactivation-no-after-potential D protein
著者Ranganathan, R, Socolich, M.
登録日2007-07-11
公開日2007-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Dynamic Scaffolding in a G Protein-Coupled Signaling System.
Cell(Cambridge,Mass.), 131, 2007
4HEB
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BU of 4heb by Molmil
The Crystal structure of Maf protein of Bacillus subtilis
分子名称: Septum formation protein Maf, UNKNOWN ATOM OR ION
著者Dong, A, Dombrovski, L, Brown, G, Flick, R, Tchigvintsev, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Iakounine, A, Min, J, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-10-03
公開日2012-10-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Biochemical and structural studies of conserved maf proteins revealed nucleotide pyrophosphatases with a preference for modified nucleotides.
Chem.Biol., 20, 2013
2R3J
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BU of 2r3j by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
2QSP
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BU of 2qsp by Molmil
Bovine Hemoglobin at pH 5.7
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Aranda IV, R, Richards, M.P, Phillips Jr, G.N.
登録日2007-07-31
公開日2008-09-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
2QTA
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BU of 2qta by Molmil
E. coli Pyruvate dehydrogenase E1 component E401K mutant with thiamin diphosphate
分子名称: MAGNESIUM ION, Pyruvate dehydrogenase E1 component, THIAMINE DIPHOSPHATE
著者Furey, W, Arjunan, P, Chandrasekhar, K.
登録日2007-08-01
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Dynamic Loop at the Active Center of the Escherichia coli Pyruvate Dehydrogenase Complex E1 Component Modulates Substrate Utilization and Chemical Communication with the E2 Component
J.Biol.Chem., 282, 2007
4HF0
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BU of 4hf0 by Molmil
Crystal Structure of Apo IscR
分子名称: HTH-type transcriptional regulator IscR, SULFATE ION
著者Rajagopalan, S.R, Phillips, K.J.
登録日2012-10-04
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Studies of IscR reveal a unique mechanism for metal-dependent regulation of DNA binding specificity.
Nat.Struct.Mol.Biol., 20, 2013
4HG0
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BU of 4hg0 by Molmil
Crystal Structure of magnesium and cobalt efflux protein CorC, Northeast Structural Genomics Consortium (NESG) Target ER40
分子名称: ADENOSINE MONOPHOSPHATE, Magnesium and cobalt efflux protein CorC
著者Kuzin, A, Neely, H, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Cooper, B, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-10-05
公開日2013-02-06
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Northeast Structural Genomics Consortium Target ER40
To be Published
4H0C
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BU of 4h0c by Molmil
Crystal structure of phospholipase/Carboxylesterase from Dyadobacter fermentans DSM 18053
分子名称: CITRIC ACID, GLYCEROL, Phospholipase/Carboxylesterase, ...
著者Chang, C, Holowicki, J, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-09-07
公開日2012-09-26
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of phospholipase/Carboxylesterase from Dyadobacter fermentans DSM 18053
To be Published
4JMW
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BU of 4jmw by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Phenol
分子名称: Cytochrome c peroxidase, PHENOL, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fish, I.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JCA
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BU of 4jca by Molmil
Crystal Structure of the apo form of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1. Northeast Structural Genomics Consortium (NESG) Target OR273
分子名称: CITRIC ACID, RUBIDIUM ION, serine hydrolase
著者Kuzin, A.P, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2013-02-21
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.411 Å)
主引用文献Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4JEM
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BU of 4jem by Molmil
Crystal structure of MilB complexed with cytidine 5'-monophosphate
分子名称: CMP/hydroxymethyl CMP hydrolase, CYTIDINE-5'-MONOPHOSPHATE
著者Sikowitz, M.D, Cooper, L.E, Begley, T.P, Kaminski, P.A, Ealick, S.E.
登録日2013-02-27
公開日2013-09-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献Reversal of the substrate specificity of CMP N-glycosidase to dCMP.
Biochemistry, 52, 2013
1QII
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BU of 1qii by Molmil
SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT F) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE
分子名称: ACETYLCHOLINESTERASE
著者Kryger, G, Weik, M, Ravelli, R.B.G.
登録日1999-06-14
公開日2000-01-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Specific chemical and structural damage to proteins produced by synchrotron radiation.
Proc.Natl.Acad.Sci.USA, 97, 2000
4JH0
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BU of 4jh0 by Molmil
Crystal structure of dipeptidyl-peptidase 4 (CD26, adenosine deaminase complexing protein 2) (DPP-IV-WT) complex with bms-767778 AKA 2-(3-(aminomethyl)-4-(2,4- dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6h-pyrrolo[3,4- b]pyridin-6-yl)-n,n-dimethylacetamide
分子名称: 2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide, Dipeptidyl peptidase 4
著者Klei, H.E.
登録日2013-03-04
公開日2013-09-04
最終更新日2013-10-09
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Optimization of Activity, Selectivity, and Liability Profiles in 5-Oxopyrrolopyridine DPP4 Inhibitors Leading to Clinical Candidate (Sa)-2-(3-(Aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).
J.Med.Chem., 56, 2013
1QIH
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BU of 1qih by Molmil
SPECIFIC CHEMICAL AND STRUCTURAL DAMAGE AT NINE TIME POINTS (POINT E) CAUSED BY INTENSE SYNCHROTRON RADIATION TO TORPEDO CALIFORNICA ACETYLCHOLINESTERASE
分子名称: PROTEIN (ACETYLCHOLINESTERASE)
著者Kryger, G, Weik, M, Ravelli, R.B.G.
登録日1999-06-14
公開日2000-01-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Specific chemical and structural damage to proteins produced by synchrotron radiation.
Proc.Natl.Acad.Sci.USA, 97, 2000
4JL8
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BU of 4jl8 by Molmil
A various kinds of ADP conformations in the Adenylate kinase active site
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLD
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BU of 4jld by Molmil
Crystal Structures of adenylate kinase with 2 ADP's
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLL
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BU of 4jll by Molmil
Crystal Structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1 covalently bound with FP-alkyne, Northeast Structural Genomics Consortium (NESG) Target OR273
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Tong, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2013-03-12
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
4JMB
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BU of 4jmb by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine, Cytochrome c peroxidase, ...
著者Barelier, S, Fischer, M.
登録日2013-03-13
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4JMZ
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BU of 4jmz by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with N-methyl-1H-benzimidazol-2-amine
分子名称: Cytochrome c peroxidase, N-methyl-1H-benzimidazol-2-amine, PROTOPORPHYRIN IX CONTAINING FE
著者Barelier, S, Fischer, M.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Roles for ordered and bulk solvent in ligand recognition and docking in two related cavities.
Plos One, 8, 2013
4JO9
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BU of 4jo9 by Molmil
Crystal structure of the human Nup49CCS2+3* Nup57CCS3* complex 1:2 stoichiometry
分子名称: Nucleoporin p54, Nucleoporin p58/p45
著者Stuwe, T, Bley, C.J, Mayo, D.J, Hoelz, A.
登録日2013-03-18
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.499 Å)
主引用文献Architecture of the fungal nuclear pore inner ring complex.
Science, 350, 2015
4JPT
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BU of 4jpt by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with quinazoline-2,4-diamine
分子名称: Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Boyce, S.E, Fischer, M, Fish, I.
登録日2013-03-19
公開日2013-07-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013

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