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3OGQ
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BU of 3ogq by Molmil
Crystal Structure of 6s-98S FIV Protease with Lopinavir bound
分子名称: DIMETHYL SULFOXIDE, FIV protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE
著者Lin, Y.-C, Perryman, A.L, Elder, J.H, Stout, C.D.
登録日2010-08-17
公開日2011-06-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for drug and substrate specificity exhibited by FIV encoding a chimeric FIV/HIV protease.
Acta Crystallogr.,Sect.D, 67, 2011
1Z7C
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BU of 1z7c by Molmil
Crystal Structure of Human Placental Lactogen
分子名称: Chorionic somatomammotropin hormone
著者Walsh, S.T.R, Kossiakoff, A.A.
登録日2005-03-24
公開日2006-03-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure and Site 1 Binding Energetics of Human Placental Lactogen.
J.Mol.Biol., 358, 2006
1AZM
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BU of 1azm by Molmil
DRUG-PROTEIN INTERACTIONS: STRUCTURE OF SULFONAMIDE DRUG COMPLEXED WITH HUMAN CARBONIC ANHYDRASE I
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE I, ZINC ION
著者Chakravarty, S, Kannan, K.K.
登録日1993-11-28
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Drug-protein interactions. Refined structures of three sulfonamide drug complexes of human carbonic anhydrase I enzyme.
J.Mol.Biol., 243, 1994
4HZ0
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BU of 4hz0 by Molmil
Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
分子名称: 7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine, DNA topoisomerase 4 subunit B, MAGNESIUM ION
著者Bensen, D.C, Trzoss, M, Tari, L.W.
登録日2012-11-14
公開日2013-02-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.
Bioorg.Med.Chem.Lett., 23, 2013
1IN4
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BU of 1in4 by Molmil
THERMOTOGA MARITIMA RUVB HOLLIDAY JUNCTION BRANCH MIGRATION MOTOR
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, COBALT (II) ION, ...
著者Putnam, C.D, Tainer, J.A.
登録日2001-05-12
公開日2001-08-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and mechanism of the RuvB Holliday junction branch migration motor.
J.Mol.Biol., 311, 2001
1U7C
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BU of 1u7c by Molmil
Crystal Structure of AmtB from E.Coli with Methyl Ammonium.
分子名称: METHYLAMINE, Probable ammonium transporter
著者Khademi, S, O'Connell III, J, Remis, J, Robles-Colmenares, Y, Miercke, L.J.W, Stroud, R.M.
登録日2004-08-03
公開日2004-09-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mechanism of ammonia transport by Amt/MEP/Rh: structure of AmtB at 1.35 A
Science, 305, 2004
3CGX
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BU of 3cgx by Molmil
Crystal structure of putative nucleotide-diphospho-sugar transferase (YP_389115.1) from Desulfovibrio desulfuricans G20 at 1.90 A resolution
分子名称: IMIDAZOLE, Putative nucleotide-diphospho-sugar transferase
著者Joint Center for Structural Genomics (JCSG)
登録日2008-03-06
公開日2008-03-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of putative Nucleotide-diphospho-sugar Transferase (YP_389115.1) from Desulfovibrio desulfuricans G20 at 1.90 A resolution
To be published
4HXF
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BU of 4hxf by Molmil
Acylaminoacyl peptidase in complex with Z-Gly-Gly-Phe-chloromethyl ketone
分子名称: CHLORIDE ION, HEXANE-1,6-DIOL, MAGNESIUM ION, ...
著者Kiss-Szeman, A, Menyhard, D.K, Tichy-Racs, E, Hornung, B, Radi, K, Szeltner, Z, Domokos, K, Szamosi, I, Naray-Szabo, G, Polgar, L, Harmat, V.
登録日2012-11-09
公開日2013-05-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION.
J.Biol.Chem., 288, 2013
6M4Y
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BU of 6m4y by Molmil
Structure of a R371A mutant of a Group II PLP dependent decarboxylase from Methanocaldococcus jannaschii
分子名称: GLYCEROL, L-tyrosine/L-aspartate decarboxylase, SULFATE ION
著者Manoj, N, Chellam Gayathri, S.
登録日2020-03-09
公開日2020-12-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic Snapshots of the Dunathan and Quinonoid Intermediates provide Insights into the Reaction Mechanism of Group II Decarboxylases.
J.Mol.Biol., 432, 2020
2QXF
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BU of 2qxf by Molmil
Product bound structure of exonuclease I at 1.5 angstrom resolution
分子名称: Exodeoxyribonuclease I, MAGNESIUM ION, SODIUM ION, ...
著者Busam, R.D.
登録日2007-08-11
公開日2008-01-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of Escherichia coli exonuclease I in complex with thymidine 5'-monophosphate.
Acta Crystallogr.,Sect.D, 64, 2008
2MHG
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BU of 2mhg by Molmil
NMR structure of protein NP_254181.1 from Pseudomonas aeruginosa PA01
分子名称: Uncharacterized protein
著者Dutta, S.K, Serrano, P, Geralt, M, Wuthrich, K, Joint Center for Structural Genomics (JCSG)
登録日2013-11-22
公開日2014-01-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of protein NP_254181.1 from Pseudomonas aeruginosa PA01
To be Published
2ZBD
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BU of 2zbd by Molmil
Crystal Structure of the SR Calcium Pump with Bound Aluminium Fluoride, ADP and Calcium
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Toyoshima, C, Nomura, H, Tsuda, T, Ogawa, H, Norimatsu, Y.
登録日2007-10-20
公開日2007-11-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lumenal gating mechanism revealed in calcium pump crystal structures with phosphate analogues
Nature, 432, 2004
4I73
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BU of 4i73 by Molmil
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with compound UAMC-00312
分子名称: (2R,3R,4S)-2-(hydroxymethyl)-1-[(4-hydroxythieno[3,2-d]pyrimidin-7-yl)methyl]pyrrolidine-3,4-diol, CALCIUM ION, Inosine-adenosine-guanosine-nucleoside hydrolase, ...
著者Giannese, F, Degano, M.
登録日2012-11-30
公開日2013-08-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
4I71
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BU of 4i71 by Molmil
Crystal structure of the Trypanosoma brucei Inosine-Adenosine-Guanosine nucleoside hydrolase in complex with a trypanocidal compound
分子名称: (2R,3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-2-(hydroxymethyl)pyrrolidine-3,4-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Giannese, F, Degano, M.
登録日2012-11-30
公開日2013-08-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structures of purine nucleosidase from Trypanosoma brucei bound to isozyme-specific trypanocidals and a novel metalorganic inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
3OF9
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BU of 3of9 by Molmil
Structural Basis for Irreversible Inhibition of Human Cathepsin L by a Diazomethylketone Inhibitor
分子名称: Cathepsin L1, Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-1-(4-tert-butoxybenzyl)-3-diazo-2-oxopropyl]-L-phenylalaninamide
著者Shenoy, R.T, Sivaraman, J.
登録日2010-08-14
公開日2010-12-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Structural basis for reversible and irreversible inhibition of human cathepsin L by their respective dipeptidyl glyoxal and diazomethylketone inhibitors.
J.Struct.Biol., 173, 2011
2RCB
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BU of 2rcb by Molmil
Crystal structure of the NR3B ligand binding core complex with D-serine at 1.62 Angstrom resolution
分子名称: D-SERINE, GLYCEROL, Glutamate [NMDA] receptor subunit 3B
著者Yao, Y, Mayer, M.L.
登録日2007-09-19
公開日2008-08-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Molecular mechanism of ligand recognition by NR3 subtype glutamate receptors.
Embo J., 27, 2008
4HLD
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BU of 4hld by Molmil
Sulfonylpiperidines as Novel, Antibacterial Inhibitors of Gram-Positive Thymidylate Kinase (TMK): Compound 11
分子名称: 1-[(3S)-1-{[3-(3-chlorophenoxy)-4-hydroxyphenyl]sulfonyl}piperidin-3-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, Thymidylate kinase
著者Olivier, N.
登録日2012-10-16
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Sulfonylpiperidines as novel, antibacterial inhibitors of Gram-positive thymidylate kinase (TMK).
Bioorg.Med.Chem.Lett., 23, 2013
1SW1
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BU of 1sw1 by Molmil
Crystal structure of ProX from Archeoglobus fulgidus in complex with proline betaine
分子名称: 1,1-DIMETHYL-PROLINIUM, ZINC ION, osmoprotection protein (proX)
著者Schiefner, A, Holtmann, G, Diederichs, K, Welte, W, Bremer, E.
登録日2004-03-30
公開日2004-09-14
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural basis for the binding of compatible solutes by ProX from the hyperthermophilic archaeon Archaeoglobus fulgidus.
J.Biol.Chem., 279, 2004
3S68
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BU of 3s68 by Molmil
Rat COMT in complex with SAM and Tolcapone at 1.85A, P3221, Rfree=22.0
分子名称: CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
登録日2011-05-25
公開日2012-02-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors
Acta Crystallogr.,Sect.D, 68, 2012
4KOY
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BU of 4koy by Molmil
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cephalosporin C
分子名称: 1,2-ETHANEDIOL, 4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM, SULFATE ION, ...
著者Majorek, K.A, Porebski, P.J, Chruszcz, M, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2013-05-12
公開日2013-06-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA.
J.Biol.Chem., 288, 2013
1E0F
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BU of 1e0f by Molmil
Crystal structure of the human alpha-thrombin-haemadin complex: an exosite II-binding inhibitor
分子名称: HAEMADIN, THROMBIN
著者Richardson, J.L, Kroeger, B, Hoefken, W, Pereira, P, Huber, R, Bode, W, Fuentes-Prior, P.
登録日2000-03-27
公開日2000-11-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of the Human Alpha-Thrombin-Haemadin Complex: An Exosite II-Binding Inhibitor
Embo J., 19, 2000
4KRA
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BU of 4kra by Molmil
Salmonella typhi OmpF complex with Ciprofloxacin
分子名称: 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, Outer membrane protein F
著者Madhuranayaki, T, Balasubramaniam, D, Krishnaswamy, S.
登録日2013-05-16
公開日2014-05-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Salmonella typhi OmpF complex with Ciprofloxacin
To be published
2RJ4
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BU of 2rj4 by Molmil
B-specific alpha-1,3-galactosyltransferase G176R +UDP+ADA
分子名称: Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
著者Evans, S.V, Alfaro, J.A.
登録日2007-10-14
公開日2008-02-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008
2EG7
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BU of 2eg7 by Molmil
The crystal structure of E. coli dihydroorotase complexed with HDDP
分子名称: 2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID, Dihydroorotase, ZINC ION
著者Lee, M, Maher, M.J, Guss, J.M.
登録日2007-02-28
公開日2007-07-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of Ligand-free and Inhibitor Complexes of Dihydroorotase from Escherichia coli: Implications for Loop Movement in Inhibitor Design
J.Mol.Biol., 370, 2007
3SGH
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BU of 3sgh by Molmil
Crystal structure of a SusD-like protein (BT_3752) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution
分子名称: CHLORIDE ION, SusD homolog
著者Joint Center for Structural Genomics (JCSG)
登録日2011-06-14
公開日2011-07-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a Hypothetical SusD-like protein (BT_3752) from Bacteroides thetaiotaomicron VPI-5482 at 1.70 A resolution
To be published

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