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4YXB
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BU of 4yxb by Molmil
FliM(SPOA)::FliN fusion protein
分子名称: Ambiguous peptide density, Flagellar motor switch protein FliM,Flagellar motor switch protein FliN, FliM::FliN fragment, ...
著者Notti, R.Q, Stebbins, C.E.
登録日2015-03-22
公開日2015-06-03
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献A common assembly module in injectisome and flagellar type III secretion sorting platforms.
Nat Commun, 6, 2015
5I5J
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BU of 5i5j by Molmil
Shewanella denitrificans nitrous oxide reductase, reduced apo form
分子名称: Nitrous-oxide reductase
著者Schneider, L.K, Einsle, O.
登録日2016-02-15
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Role of Calcium in Secondary Structure Stabilization during Maturation of Nitrous Oxide Reductase.
Biochemistry, 55, 2016
5I8W
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BU of 5i8w by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT401
分子名称: 4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-19
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.629 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
5I7S
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BU of 5i7s by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT01
分子名称: 5-ETHYL-2-PHENOXYPHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-18
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.595 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
1AXR
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BU of 1axr by Molmil
COOPERATIVITY BETWEEN HYDROGEN-BONDING AND CHARGE-DIPOLE INTERACTIONS IN THE INHIBITION OF BETA-GLYCOSIDASES BY AZOLOPYRIDINES: EVIDENCE FROM A STUDY WITH GLYCOGEN PHOSPHORYLASE B
分子名称: 4,5,6-TRIHYDROXY-7-HYDROXYMETHYL-4,5,6,7-TETRAHYDRO-1H-[1,2,3]TRIAZOLO[1,5-A]PYRIDIN-8-YLIUM, GLYCOGEN PHOSPHORYLASE, PHOSPHATE ION, ...
著者Oikonomakos, N.G, Heightman, T.D.
登録日1997-10-20
公開日1998-01-28
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Cooperative interactions of the catalytic nucleophile and the catalytic acid in the inhibition of beta-glycosidases. Calculations and their validation by comparative kinetic and structural studies of the inhibition of glycogen phosphorylase b.
HELV.CHIM.ACTA, 81, 1998
1S7A
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BU of 1s7a by Molmil
NMR structure of the La motif of human La protein
分子名称: Lupus La protein
著者Alfano, C, Sanfelice, D, Babon, J, Kelly, G, Jacks, A, Curry, S, Conte, M.R.
登録日2004-01-29
公開日2004-04-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural analysis of cooperative RNA binding by the La motif and central RRM domain of human La protein.
Nat.Struct.Mol.Biol., 11, 2004
3O84
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BU of 3o84 by Molmil
Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid.
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, ...
著者Drake, E.J, Duckworth, B.P, Neres, J, Aldrich, C.C, Gulick, A.M.
登録日2010-08-02
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical and structural characterization of bisubstrate inhibitors of BasE, the self-standing nonribosomal peptide synthetase adenylate-forming enzyme of acinetobactin synthesis.
Biochemistry, 49, 2010
5IHA
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BU of 5iha by Molmil
MELK in complex with NVS-MELK8F
分子名称: 1-methyl-4-(4-{4-[3-(2-methylpropoxy)pyridin-4-yl]-1H-pyrazol-1-yl}phenyl)piperazine, Maternal embryonic leucine zipper kinase
著者Sprague, E.R, Brazell, T.
登録日2016-02-29
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
3O82
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BU of 3o82 by Molmil
Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 5'-O-[N-(2,3-dihydroxybenzoyl)sulfamoyl] adenosine
分子名称: 5'-O-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine, CALCIUM ION, Peptide arylation enzyme
著者Drake, E.J, Duckworth, B.P, Neres, J, Aldrich, C.C, Gulick, A.M.
登録日2010-08-02
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Biochemical and structural characterization of bisubstrate inhibitors of BasE, the self-standing nonribosomal peptide synthetase adenylate-forming enzyme of acinetobactin synthesis.
Biochemistry, 49, 2010
1DO0
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BU of 1do0 by Molmil
ORTHORHOMBIC CRYSTAL FORM OF HEAT SHOCK LOCUS U (HSLU) FROM ESCHERICHIA COLI
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (HEAT SHOCK LOCUS U), ...
著者Bochtler, M, Hartmann, C, Song, H.K, Bourenkov, G.P, Bartunik, H.D.
登録日1999-12-18
公開日2000-02-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structures of HsIU and the ATP-dependent protease HsIU-HsIV.
Nature, 403, 2000
5I5I
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BU of 5i5i by Molmil
Shewanella denitrificans nitrous oxide reductase, app form
分子名称: Nitrous-oxide reductase
著者Schneider, L.K, Einsle, O.
登録日2016-02-15
公開日2016-03-02
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Role of Calcium in Secondary Structure Stabilization during Maturation of Nitrous Oxide Reductase.
Biochemistry, 55, 2016
5I60
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BU of 5i60 by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.12A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A BIARL AMIDE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: (2-{[4-(1H-pyrazol-3-yl)phenyl]carbamoyl}phenyl)acetic acid, 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2016-02-15
公開日2016-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
4FBU
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BU of 4fbu by Molmil
Dpo4 polymerase pre-insertion binary complex with the N-(deoxyguanosin-8-yl)-1-aminopyrene lesion
分子名称: CALCIUM ION, DNA polymerase IV, DNA primer, ...
著者Kirouac, K, Basu, A, Ling, H.
登録日2012-05-23
公開日2013-06-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural mechanism of replication stalling on a bulky amino-polycyclic aromatic hydrocarbon DNA adduct by a y family DNA polymerase.
J.Mol.Biol., 425, 2013
5I7F
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BU of 5i7f by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT405
分子名称: 5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-17
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
1TZC
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BU of 1tzc by Molmil
Crystal structure of phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum in complex with 5-phosphoarabinonate
分子名称: 5-PHOSPHOARABINONIC ACID, GLYCEROL, SULFATE ION, ...
著者Swan, M.K, Hansen, T, Schoenheit, P, Davies, C.
登録日2004-07-09
公開日2004-07-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A novel phosphoglucose/phosphomannose isomease from the crenarchaeon Pyrobaculum aerophilum is a member of the PGI superfamily: structural evidence at 1.16 A resolution
J.Biol.Chem., 279, 2004
4HAC
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BU of 4hac by Molmil
Crystal Structure of the Mevalonate Kinase from an Archaeon Methanosarcina mazei
分子名称: MAGNESIUM ION, Mevalonate kinase
著者Zhuang, N, Lee, K.H.
登録日2012-09-26
公開日2012-12-12
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystallization and preliminary X-ray diffraction analysis of mevalonate kinase from Methanosarcina mazei.
Acta Crystallogr.,Sect.F, 68, 2012
3ZH4
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BU of 3zh4 by Molmil
crystal structure of S. pneumoniae Hungary 19A MurA1 in complex with citrate
分子名称: CITRATE ANION, DI(HYDROXYETHYL)ETHER, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE
著者Gutierrez-Fernandez, J, Hermoso, J.A.
登録日2012-12-20
公開日2013-04-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Heteroresistance to Fosfomycin is Predominant in Streptococcus Pneumoniae and Depends on Mura1 Gene.
Antimicrob.Agents Chemother., 57, 2013
1JF0
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BU of 1jf0 by Molmil
The Crystal Structure of Obelin from Obelia geniculata at 1.82 A Resolution
分子名称: C2-HYDROPEROXY-COELENTERAZINE, Obelin
著者Deng, L, Vysotski, E, Liu, Z.-J, Markova, S, Lee, J, Rose, J, Wang, B.-C.
登録日2001-06-19
公開日2001-07-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献The Crystal Structure of Obelin from Obelia geniculata at 1.82 Angstrom Resolution
To be Published
5I8C
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BU of 5i8c by Molmil
Crystal Structure of HIV-1 Clade A BG505 Fusion Peptide (residue 512-520) in Complex with Broadly Neutralizing Antibody VRC34.01 Fab
分子名称: HIV-1 Clade A BG505 Fusion Peptide (residue 512-520), VRC34.01 Fab heavy chain, VRC34.01 Fab light chain
著者Xu, K, Zhou, T, Liu, K, Kwong, P.D.
登録日2016-02-18
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
5I9N
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BU of 5i9n by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT412
分子名称: 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
登録日2016-02-20
公開日2017-02-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.512 Å)
主引用文献Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
1M58
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BU of 1m58 by Molmil
Solution Structure of Cytotoxic RC-RNase2
分子名称: RC-RNase2 ribonuclease
著者Hsu, C.-H, Liao, Y.-D, Wu, S.-H, Chen, C.
登録日2002-07-09
公開日2003-01-09
最終更新日2022-12-21
実験手法SOLUTION NMR
主引用文献1H, 15N and 13C resonance assignments and secondary structure determination of the RC-RNase 2 from oocytes of bullfrog Rana catesbeiana.
J.Biomol.Nmr, 19, 2001
6EI4
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BU of 6ei4 by Molmil
Crystal Structure of tyrosinase from Bacillus megaterium with B5N inhibitor in the active site
分子名称: COPPER (II) ION, Tyrosinase, [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone
著者Deri, B, Gitto, R, Pazy Benhar, Y, Fishman, A.
登録日2017-09-17
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments.
J. Med. Chem., 61, 2018
5HQZ
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BU of 5hqz by Molmil
Fluorine substituted 5-methyl-6-(4'-trifluoromethoxyphenythio)thieno[2,3-d]pyrimidine-2,4-diamine
分子名称: 5-methyl-6-{[4-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V.
登録日2016-01-22
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Human dihydrofolate reductase ternary complex with a series of fluorine substituted 5-methyl-6-phenythio)thieno[2,3-d]pyrimidine-2,4-diamines
To Be Published
5HSR
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BU of 5hsr by Molmil
Fluorine substituted 5-methyl-6-(3',4'-difluoromethoxyphenythio)thieno[2,3-d]pyrimidine-2,4-diamine
分子名称: 5-methyl-6-[(2,3,4-trifluorophenyl)sulfanyl]thieno[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V.
登録日2016-01-26
公開日2017-02-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Human dihydrofolate reductase ternary complex with a series of fluorine substituted 5-methyl-6-phenythio)thieno[2,3-d]pyrimidine-2,4-diamines
To Be Published
5I5U
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BU of 5i5u by Molmil
X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDRONAPHTHALENYL COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.
分子名称: 1,2-ETHANEDIOL, 2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide, Branched-chain-amino-acid aminotransferase, ...
著者Somers, D.O.
登録日2016-02-15
公開日2016-03-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.404 Å)
主引用文献Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016

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