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1A2Y
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HEN EGG WHITE LYSOZYME, D18A MUTANT, IN COMPLEX WITH MOUSE MONOCLONAL ANTIBODY D1.3
分子名称: IGG1-KAPPA D1.3 FV (HEAVY CHAIN), IGG1-KAPPA D1.3 FV (LIGHT CHAIN), LYSOZYME, ...
著者Tsuchiya, D, Mariuzza, R.A.
登録日1998-01-13
公開日1998-04-29
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A mutational analysis of binding interactions in an antigen-antibody protein-protein complex.
Biochemistry, 37, 1998
208D
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HIGH-RESOLUTION STRUCTURE OF A DNA HELIX FORMING (C.G)*G BASE TRIPLETS
分子名称: DNA (5'-D(*GP*CP*GP*AP*AP*TP*TP*CP*G)-3'), MAGNESIUM ION
著者Van Meervelt, L, Vlieghe, D, Dautant, A, Gallois, B, Precigoux, G, Kennard, O.
登録日1995-04-26
公開日1995-09-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献High-resolution structure of a DNA helix forming (C.G)*G base triplets.
Nature, 374, 1995
2A84
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Crystal structure of A Pantothenate synthetase complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2005-07-07
公開日2006-02-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
2A88
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Crystal structure of A Pantothenate synthetase, apo enzyme in C2 space group
分子名称: GLYCEROL, Pantoate--beta-alanine ligase, SULFATE ION
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2005-07-07
公開日2006-02-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
3H52
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Crystal structure of the antagonist form of human glucocorticoid receptor
分子名称: 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, GLYCEROL, Glucocorticoid receptor, ...
著者Schoch, G.A, Benz, J, D'Arcy, B, Stihle, M, Burger, D, Thoma, R, Ruf, A.
登録日2009-04-21
公開日2009-12-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular switch in the glucocorticoid receptor: active and passive antagonist conformations
J.Mol.Biol., 395, 2010
7F3Y
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BU of 7f3y by Molmil
Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with methotrexate (MTX), NADPH and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
著者Vanichtanankul, J, Tanramluk, D, Yuvaniyama, J, Yuthavong, Y.
登録日2021-06-17
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献MANORAA: A machine learning platform to guide protein-ligand design by anchors and influential distances.
Structure, 30, 2022
2A7X
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Crystal Structure of A Pantothenate synthetase complexed with AMP
分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, Pantoate-beta-alanine ligase, ...
著者Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2005-07-06
公開日2006-02-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
7F3Z
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Double mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-K1, C59R+S108N) complexed with Trimethoprim (TOP), NADPH and dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, GLYCEROL, ...
著者Vanichtanankul, J, Tanramluk, D, Chitnumsub, P, Yuvaniyama, J, Yuthavong, Y.
登録日2021-06-17
公開日2021-09-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献MANORAA: A machine learning platform to guide protein-ligand design by anchors and influential distances.
Structure, 30, 2022
6KJ2
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BU of 6kj2 by Molmil
200kV MicroED structure of FUS (37-42) SYSGYS solved from single crystal at 0.67 A
分子名称: RNA-binding protein FUS
著者Zhou, H, Luo, F, Luo, Z, Li, D, Liu, C, Li, X.
登録日2019-07-20
公開日2019-10-02
最終更新日2024-03-27
実験手法ELECTRON CRYSTALLOGRAPHY (0.67 Å)
主引用文献Programming Conventional Electron Microscopes for Solving Ultrahigh-Resolution Structures of Small and Macro-Molecules.
Anal.Chem., 91, 2019
1ZWN
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Crystal structure of spin labeled T4 Lysozyme (V131R1B)
分子名称: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ...
著者Fleissner, M.R, Cascio, D, Sawaya, M.R, Hideg, K, Hubbell, W.L.
登録日2005-06-03
公開日2006-10-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of spin labeled T4 Lysozyme (V131R1B)
To be Published
6KJ4
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120kV MicroED structure of FUS (37-42) SYSGYS solved from single crystal at 0.65 A
分子名称: RNA-binding protein FUS
著者Zhou, H, Luo, F, Luo, Z, Li, D, Liu, C, Li, X.
登録日2019-07-20
公開日2019-10-02
最終更新日2024-03-27
実験手法ELECTRON CRYSTALLOGRAPHY (0.65 Å)
主引用文献Programming Conventional Electron Microscopes for Solving Ultrahigh-Resolution Structures of Small and Macro-Molecules.
Anal.Chem., 91, 2019
4JV7
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BU of 4jv7 by Molmil
Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one
分子名称: (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
登録日2013-03-25
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
4JVR
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BU of 4jvr by Molmil
Co-crystal structure of MDM2 with inhibitor (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide
分子名称: (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2
著者Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
登録日2013-03-26
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
1DOJ
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BU of 1doj by Molmil
Crystal structure of human alpha-thrombin*RWJ-51438 complex at 1.7 A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUGEN, ...
著者Recacha, R, Costanzo, M.J, Maryanoff, B.E, Carson, M, DeLucas, L, Chattopadhyay, D.
登録日1999-12-21
公開日2000-11-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of human alpha-thrombin complexed with RWJ-51438 at 1.7 A: unusual perturbation of the 60A-60I insertion loop.
Acta Crystallogr.,Sect.D, 56, 2000
1HL3
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BU of 1hl3 by Molmil
CtBP/BARS in ternary complex with NAD(H) and PIDLSKK peptide
分子名称: C-TERMINAL BINDING PROTEIN 3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PRO-ILE-ASP-LEU-SER-LYS-LYS PEPTIDE
著者Nardini, M, Spano, S, Cericola, C, Pesce, A, Massaro, A, Millo, E, Luini, A, Corda, D, Bolognesi, M.
登録日2003-03-13
公開日2003-06-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Ctbp/Bars: A Dual-Function Protein Involved in Transcription Co-Repression and Golgi Membrane Fission
Embo J., 22, 2003
1DTH
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BU of 1dth by Molmil
METALLOPROTEASE
分子名称: 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE, ATROLYSIN C, CALCIUM ION, ...
著者Botos, I, Scapozza, L, Zhang, D, Liotta, L.A, Meyer, E.F.
登録日1996-02-12
公開日1997-02-12
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Batimastat, a potent matrix mealloproteinase inhibitor, exhibits an unexpected mode of binding.
Proc.Natl.Acad.Sci.USA, 93, 1996
3FEI
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BU of 3fei by Molmil
Design and biological evaluation of novel, balanced dual PPARa/g agonists
分子名称: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peptide motif 5 of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
著者Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M, Schlatter, D.
登録日2008-11-30
公開日2009-10-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
2A8H
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Crystal structure of catalytic domain of TACE with Thiomorpholine Sulfonamide Hydroxamate inhibitor
分子名称: 4-({4-[(4-AMINOBUT-2-YNYL)OXY]PHENYL}SULFONYL)-N-HYDROXY-2,2-DIMETHYLTHIOMORPHOLINE-3-CARBOXAMIDE, ADAM 17, ZINC ION
著者Levin, J.I, Chen, J.M, Laakso, L.M, Du, M, Schmid, J, Xu, W, Cummons, T, Xu, J, Jin, G, Barone, D, Skotnicki, J.S.
登録日2005-07-08
公開日2006-02-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates.
Bioorg.Med.Chem.Lett., 16, 2006
2A4T
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Crystal structure of spin labeled T4 Lysozyme (V131R7)
分子名称: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ...
著者Fleissner, M.R, Cascio, D, Sawaya, M.R, Hideg, K, Hubbell, W.L.
登録日2005-06-29
公開日2006-06-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of spin labeled T4 Lysozyme (V131R7
To be Published
3FPJ
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Crystal Structure of E81Q mutant of MtNAS in complex with S-ADENOSYLMETHIONINE
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BROMIDE ION, Putative uncharacterized protein, ...
著者Dreyfus, C, Pignol, D, Arnoux, P.
登録日2009-01-05
公開日2009-10-06
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic snapshots of iterative substrate translocations during nicotianamine synthesis in Archaea
Proc.Natl.Acad.Sci.USA, 106, 2009
1AU6
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SOLUTION STRUCTURE OF DNA D(CATGCATG) INTERSTRAND-CROSSLINKED BY BISPLATIN COMPOUND (1,1/T,T), NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: BIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEX, DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3')
著者Yang, D, Van Boom, S.S.G.E, Reedijk, J, Van Boom, J.H, Farrell, N, Wang, A.H.-J.
登録日1997-09-11
公開日1998-02-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A novel DNA structure induced by the anticancer bisplatinum compound crosslinked to a GpC site in DNA.
Nat.Struct.Biol., 2, 1995
1Z0M
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BU of 1z0m by Molmil
the glycogen-binding domain of the AMP-activated protein kinase beta1 subunit
分子名称: 5'-AMP-activated protein kinase, beta-1 subunit, Cycloheptakis-(1-4)-(alpha-D-glucopyranose)
著者Polekhina, G, Gupta, A, van Denderen, B.J, Feil, S.C, Kemp, B.E, Stapleton, D, Parker, M.W.
登録日2005-03-02
公開日2005-10-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural Basis for Glycogen Recognition by AMP-Activated Protein Kinase.
Structure, 13, 2005
4JVE
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Co-crystal structure of MDM2 with inhibitor (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid
分子名称: (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid, E3 ubiquitin-protein ligase Mdm2
著者Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C.
登録日2013-03-25
公開日2013-05-01
最終更新日2013-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
1DV9
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STRUCTURAL CHANGES ACCOMPANYING PH-INDUCED DISSOCIATION OF THE B-LACTOGLOBULIN DIMER
分子名称: BETA-LACTOGLOBULIN
著者Uhrinova, S, Smith, M.H, Jameson, G.B, Uhrin, D, Sawyer, L, Barlow, P.N.
登録日2000-01-20
公開日2000-02-09
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Structural changes accompanying pH-induced dissociation of the beta-lactoglobulin dimer.
Biochemistry, 39, 2000
1MHX
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Crystal Structures of the redesigned protein G variant NuG1
分子名称: immunoglobulin-binding protein G
著者Nauli, S, Kuhlman, B, Le Trong, I, Stenkamp, R.E, Teller, D.C, Baker, D.
登録日2002-08-21
公開日2002-09-18
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures and increased stabilization of the protein G variants with switched folding pathways NuG1 and NuG2
Protein Sci., 11, 2002

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