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6CZH
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BU of 6czh by Molmil
Structure of a redesigned beta barrel, mFAP0, bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
2ROD
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BU of 2rod by Molmil
Solution Structure of MCL-1 Complexed with NoxaA
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1 homolog, Noxa
Authors:Day, C.L, Smits, C, Fan, F.C, Lee, E.F, Fairlie, W.D, Hinds, M.G.
Deposit date:2008-03-17
Release date:2008-07-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the BH3 Domains from the p53-Inducible BH3-Only Proteins Noxa and Puma in Complex with Mcl-1
J.Mol.Biol., 380, 2008
2ROC
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BU of 2roc by Molmil
Solution structure of Mcl-1 Complexed with Puma
Descriptor: Bcl-2-binding component 3, Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
Authors:Day, C.L, Smits, C, Fan, F.C, Lee, E.F, Fairlie, W.D, Hinds, M.G.
Deposit date:2008-03-17
Release date:2008-07-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the BH3 Domains from the p53-Inducible BH3-Only Proteins Noxa and Puma in Complex with Mcl-1
J.Mol.Biol., 380, 2008
3E0V
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BU of 3e0v by Molmil
Crystal structure of pyruvate kinase from Leishmania mexicana in complex with sulphate ions
Descriptor: GLYCEROL, Pyruvate kinase, SULFATE ION
Authors:Tulloch, L.B, Gillmore, L.A, Walkinshaw, M.D.
Deposit date:2008-08-01
Release date:2008-08-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Sulphate removal induces a major conformational change in Leishmania mexicana pyruvate kinase in the crystalline state.
J.Mol.Biol., 383, 2008
4ICT
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BU of 4ict by Molmil
Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121
Descriptor: (3S,6S)-3-benzyl-6-(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Fonvielle, M, Le Du, M.-H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P.
Deposit date:2012-12-11
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
1X9U
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BU of 1x9u by Molmil
Umecyanin from Horse Raddish- Crystal Structure of the reduced form
Descriptor: COPPER (II) ION, Umecyanin
Authors:Koch, M, Velarde, M, Harrison, M.D, Echt, S, Fischer, M, Messerschmidt, A, Dennison, C.
Deposit date:2004-08-24
Release date:2005-03-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Oxidized and Reduced Stellacyanin from Horseradish Roots
J.Am.Chem.Soc., 127, 2005
3E4E
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BU of 3e4e by Molmil
Human cytochrome P450 2E1 in complex with the inhibitor 4-methylpyrazole
Descriptor: 4-methyl-1H-pyrazole, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Meneely, K.M, Porubsky, P.R, Scott, E.E.
Deposit date:2008-08-11
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of human cytochrome P450 2E1: insights into the binding of inhibitors and both small molecular weight and fatty acid substrates.
J.Biol.Chem., 283, 2008
7CPP
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BU of 7cpp by Molmil
THE STRUCTURAL BASIS FOR SUBSTRATE-INDUCED CHANGES IN REDOX POTENTIAL AND SPIN EQUILIBRIUM IN CYTOCHROME P450(CAM)
Descriptor: CYTOCHROME P450-CAM, NORCAMPHOR, PROTOPORPHYRIN IX CONTAINING FE
Authors:Raag, R, Poulos, T.L.
Deposit date:1990-05-18
Release date:1991-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structural basis for substrate-induced changes in redox potential and spin equilibrium in cytochrome P-450CAM.
Biochemistry, 28, 1989
1NWO
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BU of 1nwo by Molmil
CRYSTALLOGRAPHIC STUDY OF AZURIN FROM PSEUDOMONAS PUTIDA
Descriptor: AZURIN, COPPER (II) ION
Authors:Mathews, F.S, Chen, Z.-W.
Deposit date:1997-09-06
Release date:1998-01-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystallographic study of azurin from Pseudomonas putida.
Acta Crystallogr.,Sect.D, 54, 1998
1NWP
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BU of 1nwp by Molmil
CRYSTALLOGRAPHIC STUDY OF AZURIN FROM PSEUDOMONAS PUTIDA
Descriptor: AZURIN, COPPER (II) ION, ZINC ION
Authors:Mathews, F.S, Chen, Z.-W.
Deposit date:1997-09-06
Release date:1998-01-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystallographic study of azurin from Pseudomonas putida.
Acta Crystallogr.,Sect.D, 54, 1998
2H6P
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BU of 2h6p by Molmil
Crystal structure of HLA-B*3501 presenting the human cytochrome P450 derived peptide, KPIVVLHGY
Descriptor: 9 mer peptide from Cytochrome P450, Beta-2-microglobulin, HLA-B35
Authors:Archbold, J.K, Macdonald, W.A, Rossjohn, J.
Deposit date:2006-05-31
Release date:2006-09-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Alloreactivity between disparate cognate and allogeneic pMHC-I complexes is the result of highly focused, peptide-dependent structural mimicry
J.Biol.Chem., 281, 2006
3U8W
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BU of 3u8w by Molmil
Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor
Descriptor: 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
Authors:Mohr, C, Jordan, S.
Deposit date:2011-10-17
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of triazolopyridazinones as potent p38alpha inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
3A92
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BU of 3a92 by Molmil
Crystal structure of hen egg white lysozyme soaked with 10mM RhCl3
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
Authors:Abe, S, Koshiyama, T, Ohki, T, Hikage, T, Watanabe, Y, Ueno, T.
Deposit date:2009-10-15
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Elucidation of Metal-Ion Accumulation Induced by Hydrogen Bonds on Protein Surfaces by Using Porous Lysozyme Crystals Containing Rh(III) Ions as the Model Surfaces
Chemistry, 16, 2010
1X9R
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BU of 1x9r by Molmil
Umecyanin from Horse Raddish- Crystal Structure of the oxidised form
Descriptor: COPPER (II) ION, Umecyanin
Authors:Koch, M, Velarde, M, Harrison, M.D, Echt, S, Fischer, M, Messerschmidt, A, Dennison, C.
Deposit date:2004-08-24
Release date:2005-03-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Oxidized and Reduced Stellacyanin from Horseradish Roots
J.Am.Chem.Soc., 127, 2005
5OVF
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BU of 5ovf by Molmil
Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 17
Descriptor: 1,2-ETHANEDIOL, 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(1~{H}-pyrazol-4-yl)phenyl]ethyl]quinazolin-4-amine, Son of sevenless homolog 1
Authors:Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B.
Deposit date:2017-08-28
Release date:2019-02-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
1QMI
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BU of 1qmi by Molmil
Crystal structure of RNA 3'-terminal phosphate cyclase, an ubiquitous enzyme with unusual topology
Descriptor: RNA 3'-TERMINAL PHOSPHATE CYCLASE
Authors:Palm, G.J, Billy, E, Filipowicz, W, Wlodawer, A.
Deposit date:1999-09-28
Release date:2000-01-11
Last modified:2013-04-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of RNA 3'-Terminal Phosphate Cyclase, a Ubiquitous Enzyme with Unusual Topology
Structure, 8, 2000
4Q7W
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BU of 4q7w by Molmil
Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II
Descriptor: 1-hydroxy-6-methylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Martin, D.P, Cohen, S.M.
Deposit date:2014-04-25
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
1QXJ
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BU of 1qxj by Molmil
Crystal structure of native phosphoglucose isomerase from Pyrococcus furiosus
Descriptor: Glucose-6-phosphate isomerase, NICKEL (II) ION
Authors:Swan, M.K, Solomons, J.T.G, Beeson, C.C, Hansen, T, Schonheit, P, Davies, C.
Deposit date:2003-09-07
Release date:2003-12-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural evidence for a hydride transfer mechanism of catalysis in phosphoglucose isomerase from Pyrococcus furiosus
J.Biol.Chem., 278, 2003
4BCC
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BU of 4bcc by Molmil
PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND P2- substituted N-acyl-prolylpyrrolidine inhibitor
Descriptor: GLYCEROL, PROLYL ENDOPEPTIDASE, TRIS(HYDROXYETHYL)AMINOMETHANE, ...
Authors:VanDerVeken, P, Fulop, V, Rea, D, Gerard, M, VanElzen, R, Joossens, J, Cheng, J.D, Baekelandt, V, DeMeester, I, Lambeir, A.M, Augustyns, K.
Deposit date:2012-10-01
Release date:2013-03-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:P2-Substituted N-Acylprolylpyrrolidine Inhibitors of Prolyl Oligopeptidase: Biochemical Evaluation, Binding Mode Determination, and Assessment in a Cellular Model of Synucleinopathy.
J.Med.Chem., 55, 2012
1HPK
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BU of 1hpk by Molmil
SOLUTION NMR STRUCTURE OF THE HUMAN PLASMINOGEN KRINGLE 1 DOMAIN COMPLEXED WITH 6-AMINOHEXANOIC ACID AT PH 5.3, 310K, DERIVED FROM RANDOMLY GENERATED STRUCTURES USING SIMULATED ANNEALING, MINIMIZED AVERAGE STRUCTURE
Descriptor: 6-AMINOHEXANOIC ACID, PLASMINOGEN
Authors:Rejante, M, Llinas, M.
Deposit date:1996-08-14
Release date:1997-03-12
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Solution structure of the epsilon-aminohexanoic acid complex of human plasminogen kringle 1.
Eur.J.Biochem., 221, 1994
4E2S
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BU of 4e2s by Molmil
Crystal structure of (S)-Ureidoglycine Aminohydrolase from Arabidopsis thaliana in complex with its substrate, (S)-Ureidoglycine
Descriptor: (2S)-amino(carbamoylamino)ethanoic acid, MANGANESE (II) ION, Ureidoglycine aminohydrolase
Authors:Shin, I, Rhee, S.
Deposit date:2012-03-09
Release date:2012-04-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural and functional insights into (S)-ureidoglycine aminohydrolase, key enzyme of purine catabolism in Arabidopsis thaliana
J.Biol.Chem., 287, 2012
1TW4
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BU of 1tw4 by Molmil
Crystal Structure of Chicken Liver Basic Fatty Acid Binding Protein (Bile Acid Binding Protein) Complexed With Cholic Acid
Descriptor: CHOLIC ACID, Fatty acid-binding protein
Authors:Nichesola, D, Perduca, M, Capaldi, S, Carrizo, M.E, Righetti, P.G, Monaco, H.L.
Deposit date:2004-06-30
Release date:2004-11-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of chicken liver basic Fatty Acid-binding protein complexed with cholic acid
Biochemistry, 43, 2004
1XJO
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BU of 1xjo by Molmil
STRUCTURE OF AMINOPEPTIDASE
Descriptor: AMINOPEPTIDASE, CALCIUM ION, PHOSPHATE ION, ...
Authors:Greenblatt, H.M, Barra, D, Blumberg, S, Shoham, G.
Deposit date:1996-10-09
Release date:1997-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Streptomyces griseus aminopeptidase: X-ray crystallographic structure at 1.75 A resolution.
J.Mol.Biol., 265, 1997
2UVN
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BU of 2uvn by Molmil
Crystal structure of econazole-bound CYP130 from Mycobacterium tuberculosis
Descriptor: 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, CYTOCHROME P450 130, FLUORIDE ION, ...
Authors:Podust, L.M, Ortiz de Montellano, P.R.
Deposit date:2007-03-12
Release date:2007-12-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mycobacterium Tuberculosis Cyp130: Crystal Structure, Biophysical Characterization, and Interactions with Antifungal Azole Drugs
J.Biol.Chem., 283, 2008
2RJ8
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BU of 2rj8 by Molmil
B-specific alpha-1,3-galactosyltransferase (GTB) +UDP+ H-antigen disaccharide
Descriptor: Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Evans, S.V, Alfaro, J.A.
Deposit date:2007-10-14
Release date:2008-02-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes.
J.Biol.Chem., 283, 2008

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数据于2024-09-11公开中

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