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4FQQ
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Crystal Structure of Germline Antibody PGT121-GL Fab
分子名称: Fab heavy chain, Fab light chain, SODIUM ION
著者Scharf, L, Bjorkman, P.J.
登録日2012-06-25
公開日2012-11-14
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Complex-type N-glycan recognition by potent broadly neutralizing HIV antibodies.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TX4
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BU of 3tx4 by Molmil
Crystal Structure of Mutant (C354A) M. tuberculosis LD-transpeptidase type 2
分子名称: Mycobacterium Tuberculosis LD-transpeptidase type 2
著者Erdemli, S, Bianchet, M.A, Gupta, R, Lamichhane, G, Amzel, L.M.
登録日2011-09-22
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Targeting the Cell Wall of Mycobacterium tuberculosis: Structure and Mechanism of L,D-Transpeptidase 2.
Structure, 20, 2012
3H5L
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BU of 3h5l by Molmil
Crystal structure of a putative branched-chain amino acid ABC transporter from Silicibacter pomeroyi
分子名称: putative Branched-chain amino acid ABC transporter
著者Bonanno, J.B, Freeman, J, Bain, K.T, Iizuka, M, Sampathkumar, P, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-04-22
公開日2009-05-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a putative branched-chain amino acid ABC transporter from Silicibacter pomeroyi
To be Published
4NWL
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BU of 4nwl by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
分子名称: HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
3H65
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BU of 3h65 by Molmil
The Crystal Structure of C176A Mutated [Fe]-Hydrogenase (Hmd) Holoenzyme in Complex with Methylenetetrahydromethanopterin
分子名称: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, ...
著者Hiromoto, T, Warkentin, E, Shima, S, Ermler, U.
登録日2009-04-23
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The crystal structure of an [Fe]-hydrogenase-substrate complex reveals the framework for H2 activation.
Angew.Chem.Int.Ed.Engl., 48, 2009
3H0J
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BU of 3h0j by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 2
分子名称: 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline, Acetyl-CoA carboxylase
著者Zhang, H, Tong, L.
登録日2009-04-09
公開日2010-04-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
3UDN
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BU of 3udn by Molmil
Crystal Structure of BACE with Compound 9
分子名称: 1,2-ETHANEDIOL, 4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ...
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.193 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
4NWV
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BU of 4nwv by Molmil
Crystal structure of Orsay virus-like particle
分子名称: CALCIUM ION, Capsid protein
著者Tao, Y.J, Guo, Y.R.
登録日2013-12-06
公開日2014-08-20
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Crystal structure of a nematode-infecting virus.
Proc.Natl.Acad.Sci.USA, 111, 2014
2G7O
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BU of 2g7o by Molmil
Protonation-mediated structural flexibility in the F conjugation regulatory protein, TraM
分子名称: Protein traM
著者Lu, J, Edwards, R.A, Wong, J.J, Manchak, J, Scott, P.G, Frost, L.S, Glover, J.N.
登録日2006-02-28
公開日2006-06-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Protonation-mediated structural flexibility in the F conjugation regulatory protein, TraM.
Embo J., 25, 2006
2FSK
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BU of 2fsk by Molmil
Crystal structure of Ta0583, an archaeal actin homolog, SeMet data
分子名称: hypothetical protein Ta0583
著者Roeben, A, Kofler, C, Nagy, I, Nickell, S, Ulrich Hartl, F, Bracher, A.
登録日2006-01-23
公開日2006-04-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of an archaeal actin homolog
J.Mol.Biol., 358, 2006
3H1O
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BU of 3h1o by Molmil
The Structure of Fluorescent Protein FP480
分子名称: Fluorescent protein FP480, GLYCEROL
著者Pletnev, S, Morozova, K.S, Verkhusha, V.V, Dauter, Z.
登録日2009-04-13
公開日2009-09-08
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rotational order-disorder structure of fluorescent protein FP480
Acta Crystallogr.,Sect.D, 65, 2009
2G8J
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BU of 2g8j by Molmil
Calpain 1 proteolytic core in complex with SNJ-1945, a alpha-ketoamide-type inhibitor.
分子名称: ((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2,3-DIOXOPROPYL)AMINO)CARBONYL)-3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY-3-OXAPENTYL ESTER, CALCIUM ION, Calpain-1 catalytic subunit
著者Cuerrier, D, Moldoveanu, T, Davies, P.L, Campbell, R.L.
登録日2006-03-02
公開日2006-06-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Calpain Inhibition by alpha-Ketoamide and Cyclic Hemiacetal Inhibitors Revealed by X-ray Crystallography
Biochemistry, 45, 2006
3UG0
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BU of 3ug0 by Molmil
Crystal structure of a Trp-less green fluorescent protein translated by the simplified genetic code
分子名称: Green fluorescent protein
著者Kawahara-Kobayashi, A, Araiso, Y, Matsuda, T, Yokoyama, S, Kigawa, T, Nureki, O, Kiga, D.
登録日2011-11-02
公開日2012-10-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Simplification of the genetic code: restricted diversity of genetically encoded amino acids.
Nucleic Acids Res., 40, 2012
3H20
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BU of 3h20 by Molmil
Crystal structure of primase RepB'
分子名称: DIPHOSPHATE, Replication protein B, SULFATE ION
著者Geibel, S, Banchenko, S, Engel, M, Lanka, E, Saenger, W.
登録日2009-04-14
公開日2009-04-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure and function of primase RepB' encoded by broad-host-range plasmid RSF1010 that replicates exclusively in leading-strand mode
Proc.Natl.Acad.Sci.USA, 106, 2009
4NZS
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BU of 4nzs by Molmil
Crystal structure of beta-ketothiolase BktB B from Ralstonia eutropha H16
分子名称: Beta-ketothiolase BktB
著者Kim, E.J, Son, H, Kim, S, Kim, K.J.
登録日2013-12-12
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structure and biochemical characterization of beta-keto thiolase B from polyhydroxyalkanoate-producing bacterium Ralstonia eutropha H16
Biochem.Biophys.Res.Commun., 444, 2014
3H9G
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BU of 3h9g by Molmil
Crystal structure of E. coli MccB + MccA-N7isoASN
分子名称: MccB protein, Microcin C7 analog, SULFATE ION, ...
著者Regni, C.A, Roush, R.F, Miller, D, Nourse, A, Walsh, C.T, Schulman, B.A.
登録日2009-04-30
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献How the MccB bacterial ancestor of ubiquitin E1 initiates biosynthesis of the microcin C7 antibiotic.
Embo J., 28, 2009
2FWV
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BU of 2fwv by Molmil
Crystal Structure of Rv0813
分子名称: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, hypothetical protein MtubF_01000852
著者Shepard, W, Haouz, A, Grana, M, Buschiazzo, A, Betton, J.M, Cole, S.T, Alzari, P.M, Structural Proteomics in Europe (SPINE)
登録日2006-02-03
公開日2006-08-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Crystal Structure of Rv0813c from Mycobacterium tuberculosis Reveals a New Family of Fatty Acid-Binding Protein-Like Proteins in Bacteria
J.Bacteriol., 189, 2007
3UDK
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BU of 3udk by Molmil
Crystal Structure of BACE with Compound 6
分子名称: 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ...
著者Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
登録日2011-10-28
公開日2012-04-18
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
2FYF
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BU of 2fyf by Molmil
Structure of a putative phosphoserine aminotransferase from Mycobacterium Tuberculosis
分子名称: GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION, ...
著者Coulibaly, F, Lassalle, E, Baker, E.N, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
登録日2006-02-07
公開日2007-01-16
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of phosphoserine aminotransferase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 68, 2012
3UCD
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BU of 3ucd by Molmil
Asymmetric complex of human neuron specific enolase-2-PGA/PEP
分子名称: 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, MAGNESIUM ION, ...
著者Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L.
登録日2011-10-26
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity.
J.Inorg.Biochem., 111, 2012
4O3W
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BU of 4o3w by Molmil
Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) mutant Tyr-63-Ala from Actinobacillus suis H57
分子名称: GLYCEROL, SULFATE ION, Transferrin binding protein B
著者Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F.
登録日2013-12-18
公開日2015-01-14
最終更新日2015-03-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities.
Infect.Immun., 83, 2015
4NYA
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BU of 4nya by Molmil
Crystal structure of the E. coli thiM riboswitch in complex with 5-(azidomethyl)-2-methylpyrimidin-4-amine
分子名称: 5-(azidomethyl)-2-methylpyrimidin-4-amine, MAGNESIUM ION, thiM TPP riboswitch
著者Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R.
登録日2013-12-10
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically.
Chem.Biol., 21, 2014
3GMG
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Crystal structure of an uncharacterized conserved protein from Mycobacterium tuberculosis
分子名称: Uncharacterized protein Rv1825/MT1873
著者Bonanno, J.B, Rutter, M, Bain, K.T, Chang, S, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-03-13
公開日2009-03-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of an uncharacterized conserved protein from Mycobacterium tuberculosis
To be Published
3GMS
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Crystal structure of putative NADPH:quinone reductase from bacillus thuringiensis
分子名称: Putative NADPH:quinone reductase
著者Ramagopal, U.A, Morano, C, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-03-14
公開日2009-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure of putative NADPH:quinone reductase from Bacillus thuringiensis
To be published
4NZB
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NS9283 bound to Ls-AChBP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile, ACETATE ION, ...
著者Olsen, J.A, Kastrup, J.S, Gajhede, M.
登録日2013-12-11
公開日2014-07-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural and functional studies of the modulator NS9283 reveal agonist-like mechanism of action at alpha 4 beta 2 nicotinic acetylcholine receptors.
J.Biol.Chem., 289, 2014

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