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1CET
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BU of 1cet by Molmil
CHLOROQUINE BINDS IN THE COFACTOR BINDING SITE OF PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE.
分子名称: N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, PROTEIN (L-LACTATE DEHYDROGENASE)
著者Read, J.A, Wilkinson, K.W, Tranter, R, Sessions, R.B, Brady, R.L.
登録日1999-03-10
公開日1999-03-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Chloroquine binds in the cofactor binding site of Plasmodium falciparum lactate dehydrogenase.
J.Biol.Chem., 274, 1999
1OGU
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BU of 1ogu by Molmil
STRUCTURE OF HUMAN THR160-PHOSPHO CDK2/CYCLIN A COMPLEXED WITH A 2-ARYLAMINO-4-CYCLOHEXYLMETHYL-5-NITROSO-6-AMINOPYRIMIDINE INHIBITOR
分子名称: 4-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
著者Pratt, D.J, Endicott, J.A, Noble, M.E.M.
登録日2003-05-13
公開日2003-09-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Design of 2-Arylamino-4-Cyclohexyl Methyl-5-Nitroso-6-Aminopyrimidine Inhibitors of Cyclin-Dependent Kinases 1 and 2
Bioorg.Med.Chem.Lett., 13, 2003
1CP9
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CRYSTAL STRUCTURE OF PENICILLIN G ACYLASE FROM THE BRO1 MUTANT STRAIN OF PROVIDENCIA RETTGERI
分子名称: CALCIUM ION, Penicillin G amidase, SULFATE ION
著者McDonough, M.A, Klei, H.E, Kelly, J.A.
登録日1999-06-12
公開日1999-06-24
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of penicillin G acylase from the Bro1 mutant strain of Providencia rettgeri.
Protein Sci., 8, 1999
4CRZ
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BU of 4crz by Molmil
Direct visualisation of strain-induced protein prost-translational modification
分子名称: ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, MAGNESIUM ION, ...
著者Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E.
登録日2014-03-02
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structure of the Pand/Panz Protein Complex Reveals Negative Feedback Regulation of Pantothenate Biosynthesis by Coenzyme A.
Chem.Biol., 22, 2015
1Y60
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BU of 1y60 by Molmil
Structure of the tetrahydromethanopterin dependent formaldehyde-activating enzyme (Fae) from Methylobacterium extorquens AM1 with bound 5,10-methylene tetrahydromethanopterin
分子名称: 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, Formaldehyde-activating enzyme fae
著者Acharya, P, Goenrich, M, Hagemeier, C.H, Demmer, U, Vorholt, J.A, Thauer, R.K, Ermler, U.
登録日2004-12-03
公開日2005-01-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How an enzyme binds the C1-carrier tetrahydromethanopterin: Structure of the tetrahydromethanopterin dependent formaldehyde-activating enzyme (Fae) from Methylobacterium extorquens AM1
J.Biol.Chem., 280, 2005
1OGI
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BU of 1ogi by Molmil
FERREDOXIN:NADP+ REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY AND ALA 160 REPLACED BY THR (T155G-A160T)
分子名称: FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Hermoso, J.A, Mayoral, T, Julvez, M.M, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C.
登録日2003-05-06
公開日2003-09-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Involvement of the Pyrophosphate and the 2'-Phosphate Binding Regions of Ferredoxin-Nadp+ Reductase in Coenzyme Specificity.
J.Biol.Chem., 278, 2003
2WWG
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BU of 2wwg by Molmil
Plasmodium falciparum thymidylate kinase in complex with dGMP and ADP
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Whittingham, J.L, Carrero-Lerida, J, Brannigan, J.A, Ruiz-Perez, L.M, Silva, A.P, Fogg, M.J, Wilkinson, A.J, Gilbert, I.H, Wilson, K.S, Gonzalez-Pacanowska, D.
登録日2009-10-23
公開日2010-04-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for the Efficient Phosphorylation of Aztmp and Dgmp by Plasmodium Falciparum Type I Thymidylate Kinase.
Biochem.J., 428, 2010
1CVH
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BU of 1cvh by Molmil
STRUCTURAL CONSEQUENCES OF REDESIGNING A PROTEIN-ZINC BINDING SITE
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Ippolito, J.A, Christianson, D.W.
登録日1994-11-16
公開日1995-02-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural consequences of redesigning a protein-zinc binding site.
Biochemistry, 33, 1994
1Y6A
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BU of 1y6a by Molmil
Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor
分子名称: N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE, Vascular endothelial growth factor receptor 2
著者Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A.
登録日2004-12-05
公開日2005-06-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
1XIL
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BU of 1xil by Molmil
HYDROGEN BONDING IN HUMAN MANGANESE SUPEROXIDE DISMUTASE CONTAINING 3-FLUOROTYROSINE
分子名称: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
著者Ayala, I, Perry, J.J, Szczepanski, J, Cabelli, D.E, Tainer, J.A, Vala, M.T, Nick, H.S, Silverman, D.N.
登録日2004-09-21
公開日2005-03-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Hydrogen bonding in human manganese superoxide dismutase containing 3-fluorotyrosine
Biophys.J., 89, 2005
4CRY
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BU of 4cry by Molmil
Direct visualisation of strain-induced protein post-translational modification
分子名称: ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, CHLORIDE ION, ...
著者Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E.
登録日2014-03-02
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Direct Visualisation of Strain-Induced Protein Post-Translational Modification
To be Published
1CSL
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BU of 1csl by Molmil
CRYSTAL STRUCTURE OF THE RRE HIGH AFFINITY SITE
分子名称: 5'-R(*AP*AP*CP*GP*GP*GP*CP*GP*CP*AP*GP*AP*A)-3', 5'-R(*UP*CP*UP*GP*AP*CP*GP*GP*UP*AP*CP*GP*UP*UP*U)-3'
著者Ippolito, J.A, Steitz, T.A.
登録日1999-08-18
公開日2000-02-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The structure of the HIV-1 RRE high affinity rev binding site at 1.6 A resolution.
J.Mol.Biol., 295, 2000
2VK7
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BU of 2vk7 by Molmil
THE STRUCTURE OF CLOSTRIDIUM PERFRINGENS NANI SIALIDASE AND ITS CATALYTIC INTERMEDIATES
分子名称: 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CALCIUM ION, EXO-ALPHA-SIALIDASE
著者Newstead, S.L, Potter, J.A, Wilson, J.C, Xu, G, Chien, C.H, Watts, A.G, Withers, S.G, Taylor, G.L.
登録日2007-12-17
公開日2008-01-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The Structure of Clostridium Perfringens Nani Sialidase and its Catalytic Intermediates.
J.Biol.Chem., 283, 2008
4CS0
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BU of 4cs0 by Molmil
Direct visualisation of strain-induced protein post-translational modification
分子名称: ACETYL COENZYME *A, ASPARTATE 1-DECARBOXYLASE, MAGNESIUM ION, ...
著者Monteiro, D.C.F, Patel, V, Bartlett, C.P, Grant, T.D, Nozaki, S, Gowdy, J.A, Snell, E.H, Niki, H, Pearson, A.R, Webb, M.E.
登録日2014-03-02
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structure of the Pand/Panz Protein Complex Reveals Negative Feedback Regulation of Pantothenate Biosynthesis by Coenzyme A.
Chem.Biol., 22, 2015
1CVB
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BU of 1cvb by Molmil
STRUCTURAL AND FUNCTIONAL IMPORTANCE OF A CONSERVED HYDROGEN BOND NETWORK IN HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, SULFATE ION, ZINC ION
著者Ippolito, J.A, Christianson, D.W.
登録日1993-02-04
公開日1993-10-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional importance of a conserved hydrogen bond network in human carbonic anhydrase II.
J.Biol.Chem., 268, 1993
1XR3
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BU of 1xr3 by Molmil
Actinorhodin Polyketide Ketoreductase with NADP and the Inhibitor Isoniazid bound
分子名称: 4-(DIAZENYLCARBONYL)PYRIDINE, ACTINORHODIN POLYKETIDE KETOREDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Korman, T.P, Hill, J.A, Vu, T.N, Tsai, S.C.
登録日2004-10-13
公開日2005-09-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity.
Biochemistry, 43, 2004
1XVR
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BU of 1xvr by Molmil
echinomycin (CGTACG)2 complex
分子名称: 2-CARBOXYQUINOXALINE, 5'-D(*CP*GP*TP*AP*CP*G)-3', ECHINOMYCIN, ...
著者Cuesta-Seijo, J.A, Sheldrick, G.M.
登録日2004-10-28
公開日2005-04-12
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structures of Complexes between Echinomycin and Duplex DNA.
Acta Crystallogr.,Sect.D, 61, 2005
4D2D
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BU of 4d2d by Molmil
Structure of a tri peptide bound POT family peptide transporter
分子名称: (2R)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ALANINE-TRIPEPTIDE, ...
著者Lyons, J.A, Parker, J.L, Solcan, N, Brinth, A, Li, D, Shah, S.T.A, Caffrey, M, Newstead, S.
登録日2014-05-09
公開日2014-06-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.522 Å)
主引用文献Structural Basis for Polyspecificity in the Pot Family of Proton-Coupled Oligopeptide Transporters.
Embo Rep., 15, 2014
1CEQ
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BU of 1ceq by Molmil
CHLOROQUINE BINDS IN THE COFACTOR BINDING SITE OF PLASMODIUM FALCIPARUM LACTATE DEHYDROGENASE.
分子名称: PROTEIN (L-LACTATE DEHYDROGENASE)
著者Read, J.A, Wilkinson, K.W, Tranter, R, Sessions, R.B, Brady, R.L.
登録日1999-03-10
公開日1999-03-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Chloroquine binds in the cofactor binding site of Plasmodium falciparum lactate dehydrogenase.
J.Biol.Chem., 274, 1999
4CH8
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BU of 4ch8 by Molmil
High-salt crystal structure of a thrombin-GpIbalpha peptide complex
分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ...
著者Lechtenberg, B.C, Freund, S.M.V, Huntington, J.A.
登録日2013-11-29
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Gpibalpha Interacts Exclusively with Exosite II of Thrombin
J.Mol.Biol., 426, 2014
2UUJ
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Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution
分子名称: CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ...
著者Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R.
登録日2007-03-03
公開日2007-09-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007
1Q2Z
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BU of 1q2z by Molmil
The 3D solution structure of the C-terminal region of Ku86
分子名称: ATP-dependent DNA helicase II, 80 kDa subunit
著者Harris, R, Esposito, D, Sankar, A, Maman, J.D, Hinks, J.A, Pearl, L.H, Driscoll, P.C.
登録日2003-07-28
公開日2004-01-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The 3D Solution Structure of the C-terminal Region of Ku86 (Ku86CTR)
J.Mol.Biol., 335, 2004
1YEY
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BU of 1yey by Molmil
Crystal Structure of L-fuconate Dehydratase from Xanthomonas campestris pv. campestris str. ATCC 33913
分子名称: L-fuconate dehydratase, MAGNESIUM ION
著者Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2004-12-28
公開日2005-01-11
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal Structure of L-fuconate Dehydratase from Xanthomonas campestris pv. campestris str. ATCC 33913
To be Published
1PW6
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Low Micromolar Small Molecule Inhibitor of IL-2
分子名称: 2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE, Interleukin-2, SULFATE ION
著者Thanos, C.D, Randal, M, Wells, J.A.
登録日2003-06-30
公開日2004-01-13
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Potent small-molecule binding to a dynamic hot spot on IL-2.
J.Am.Chem.Soc., 125, 2003
2UWO
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Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa
分子名称: (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}PROPENE-1-SULFONAMIDE, COAGULATION FACTOR X
著者Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P.
登録日2007-03-22
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007

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