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1IYP
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Toho-1 beta-Lactamase In Complex With Cephalothin
分子名称: CEPHALOTHIN GROUP, SULFATE ION, Toho-1 beta-lactamase
著者Shimamura, T, Ibuka, A, Fushinobu, S, Wakagi, T, Ishiguro, M, Ishii, Y, Matsuzawa, H.
登録日2002-09-04
公開日2002-12-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Acyl-intermediate Structures of the Extended-spectrum Class A beta -Lactamase, Toho-1, in Complex with Cefotaxime, Cephalothin, and Benzylpenicillin.
J.Biol.Chem., 277, 2002
3ZSY
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Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design
分子名称: (R)-(4-CARBOXY-1,3-BENZODIOXOL-5-YL)METHYL-[[2-(CYCLOHEXYLMETHYLCARBAMOYL)PHENYL]METHYL]-METHYL-AZANIUM, ACETATE ION, INTEGRASE, ...
著者Peat, T.S, Newman, J, Rhodes, D.I, Vandergraaff, N, Le, G, Jones, E.D, Smith, J.A, Coates, J.A.V, Thienthong, N, Dolezal, O, Ryan, J.H, Savage, G.P, Francis, C.L, Deadman, J.J.
登録日2011-07-01
公開日2012-07-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small Molecule Inhibitors of the Ledgf Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design.
Plos One, 7, 2012
4DEL
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BU of 4del by Molmil
Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis
分子名称: ACETATE ION, Fructose-bisphosphate aldolase, HEXAETHYLENE GLYCOL, ...
著者Pegan, S.D, Mesecar, A.D.
登録日2012-01-20
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
3DPE
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BU of 3dpe by Molmil
Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor
分子名称: CALCIUM ION, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide, Neutrophil collagenase, ...
著者Pochetti, G, Montanari, R, Mazza, F.
登録日2008-07-08
公開日2009-03-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
3QVB
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Crystal Structure of Human Glycogenin-1 (GYG1) complexed with manganese and UDP
分子名称: 1,2-ETHANEDIOL, Glycogenin-1, MANGANESE (II) ION, ...
著者Chaikuad, A, Froese, D.S, Yue, W.W, Krysztofinska, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2011-02-25
公開日2011-03-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
2G9U
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The crystal structure of glycogen phosphorylase in complex with (3R,4R,5R)-5-hydroxymethyl-1-(3-phenylpropyl)-piperidine-3,4-diol and phosphate
分子名称: (3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL, Glycogen phosphorylase, muscle form, ...
著者Oikonomakos, N.G, Tiraidis, C, Leonidas, D.D, Zographos, S.E.
登録日2006-03-07
公開日2007-01-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition.
J.Med.Chem., 49, 2006
4HPY
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BU of 4hpy by Molmil
Crystal structure of RV144-elicited antibody CH59 in complex with V2 peptide
分子名称: CH59 Fab heavy chain, CH59 Fab light chain, Envelope glycoprotein gp160, ...
著者McLellan, J.S, Gorman, J, Haynes, B.F, Kwong, P.D.
登録日2012-10-24
公開日2013-02-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Vaccine Induction of Antibodies against a Structurally Heterogeneous Site of Immune Pressure within HIV-1 Envelope Protein Variable Regions 1 and 2.
Immunity, 38, 2013
2XUJ
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CRYSTAL STRUCTURE OF MACHE-Y337A-TZ2PA6 SYN COMPLEX (1 MTH)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ...
著者Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
登録日2010-10-19
公開日2010-12-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
4I3R
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BU of 4i3r by Molmil
Crystal structure of the outer domain of HIV-1 gp120 in complex with VRC-PG04 space group P3221
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of VRC-PG04 Fab, Light chain of VRC-PG04 Fab, ...
著者Joyce, M.G, Biertumpfel, C, Nabel, G.J, Kwong, P.D.
登録日2012-11-26
公開日2013-01-09
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Outer Domain of HIV-1 gp120: Antigenic Optimization, Structural Malleability, and Crystal Structure with Antibody VRC-PG04.
J.Virol., 87, 2013
2XMH
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BU of 2xmh by Molmil
The X-ray structure of CTP:inositol-1-phosphate cytidylyltransferase from Archaeoglobus fulgidus
分子名称: CITRATE ANION, CTP-INOSITOL-1-PHOSPHATE CYTIDYLYLTRANSFERASE
著者Brito, J.A, Borges, N, Vonrhein, C, Santos, H, Archer, M.
登録日2010-07-27
公開日2011-05-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Archaeoglobus fulgidus CTP:inositol-1-phosphate cytidylyltransferase, a key enzyme for di-myo-inositol-phosphate synthesis in (hyper)thermophiles.
J. Bacteriol., 193, 2011
2XUG
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Crystal structure of mAChE-Y337A-TZ2PA6 anti complex (1 wk)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM, ACETYLCHOLINESTERASE, ...
著者Bourne, Y, Radic, Z, Taylor, P, Marchot, P.
登録日2010-10-19
公開日2010-12-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Conformational Remodeling of Femtomolar Inhibitor-Acetylcholinesterase Complexes in the Crystalline State
J.Am.Chem.Soc., 132, 2010
3SNP
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BU of 3snp by Molmil
Crystal structure analysis of iron regulatory protein 1 in complex with ferritin H IRE RNA
分子名称: Cytoplasmic aconitate hydratase, ferritin H IRE RNA
著者Volz, K, Selezneva, A.I, Walden, W.E.
登録日2011-06-29
公開日2011-07-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of dual function iron regulatory protein 1 complexed with ferritin IRE-RNA.
Science, 314, 2006
1RQ0
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Crystal structure of peptide releasing factor 1
分子名称: Peptide chain release factor 1
著者Shin, D.H, Brandsen, J, Jancarik, J, Yokota, H, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
登録日2003-12-03
公開日2004-08-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural analyses of peptide release factor 1 from Thermotoga maritima reveal domain flexibility required for its interaction with the ribosome.
J.Mol.Biol., 341, 2004
1BVW
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CELLOBIOHYDROLASE II (CEL6A) FROM HUMICOLA INSOLENS
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
著者Varrot, A, Davies, G.J, Schulein, M.
登録日1998-09-19
公開日1999-09-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of the catalytic core domain of the family 6 cellobiohydrolase II, Cel6A, from Humicola insolens, at 1.92 A resolution.
Biochem.J., 337, 1999
1K0M
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BU of 1k0m by Molmil
Crystal structure of a soluble monomeric form of CLIC1 at 1.4 angstroms
分子名称: CHLORIDE INTRACELLULAR CHANNEL PROTEIN 1
著者Harrop, S.J, DeMaere, M.Z, Fairlie, W.D, Reztsova, T, Valenzuela, S.M, Mazzanti, M, Tonini, R, Qiu, M.R, Jankova, L, Warton, K, Bauskin, A.R, Wu, W.M, Pankhurst, S, Campbell, T.J, Breit, S.N, Curmi, P.M.G.
登録日2001-09-19
公開日2001-12-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of a soluble form of the intracellular chloride ion channel CLIC1 (NCC27) at 1.4-A resolution.
J.Biol.Chem., 276, 2001
1BWJ
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THE 1.8 A STRUCTURE OF MICROGRAVITY GROWN TETRAGONAL HEN EGG WHITE LYSOZYME
分子名称: PROTEIN (LYSOZYME)
著者Dong, J, Boggon, T.J, Chayen, N.E, Raftery, J, Bi, R.C.
登録日1998-09-18
公開日1998-09-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bound-solvent structures for microgravity-, ground control-, gel- and microbatch-grown hen egg-white lysozyme crystals at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
4LW6
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BU of 4lw6 by Molmil
Crystal structure of catalytic domain of Drosophila beta1,4galactosyltransferase 7 complex with xylobiose
分子名称: 2-AMINO-1,3-PROPANEDIOL, Beta-4-galactosyltransferase 7, MANGANESE (II) ION, ...
著者Qasba, P.K, Ramakrishnan, B.
登録日2013-07-26
公開日2013-09-25
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of beta-1,4-Galactosyltransferase 7 Enzyme Reveal Conformational Changes and Substrate Binding.
J.Biol.Chem., 288, 2013
4LXB
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BU of 4lxb by Molmil
Crystal Structure Analysis of thrombin in complex with compound D58
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-1, ...
著者Stehlin-Gaon, C, Bocskei, Z.
登録日2013-07-29
公開日2014-06-11
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013
4DEF
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BU of 4def by Molmil
Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis
分子名称: ACETATE ION, Fructose-bisphosphate aldolase, SODIUM ION, ...
著者Capodagli, G.C, Pegan, S.D.
登録日2012-01-20
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
1C3E
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NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLATE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID.
分子名称: 2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, GLYCINAMIDE RIBONUCLEOTIDE, GLYCINAMIDE RIBONUCLEOTIDE TRANSFORMYLASE
著者Greasley, S.E, Yamashita, M.M, Cai, H, Benkovic, S.J, Boger, D.L, Wilson, I.A.
登録日1999-07-27
公開日1999-12-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New insights into inhibitor design from the crystal structure and NMR studies of Escherichia coli GAR transformylase in complex with beta-GAR and 10-formyl-5,8,10-trideazafolic acid.
Biochemistry, 38, 1999
3U6X
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Phage TP901-1 baseplate tripod
分子名称: BPP, BROMIDE ION, ORF48
著者Veesler, D, Spinelli, S, Mahony, J, Lichiere, J, Blangy, S, Bricogne, G, Legrand, P, Ortiz-Lombardia, M, Campanacci, V.I, van Sinderen, D, Cambillau, C.
登録日2011-10-13
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the phage TP901-1 1.8 MDa baseplate suggests an alternative host adhesion mechanism.
Proc.Natl.Acad.Sci.USA, 109, 2012
3QED
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BU of 3qed by Molmil
The structure and function of an arabinan-specific alpha-1,2-arabinofuranosidase identified from screening the activities of bacterial GH43 glycoside hydrolases
分子名称: Beta-xylosidase/alpha-L-arabinfuranosidase, gly43N, CALCIUM ION, ...
著者Cartmell, A, Mckee, L.S, Pena, M, Larsbrink, J, Brumer, H, Lewis, R.J, Viks-Nielsen, A, Gilbert, H.J, Marles-Wright, J.
登録日2011-01-20
公開日2011-02-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The Structure and Function of an Arabinan-specific {alpha}-1,2-Arabinofuranosidase Identified from Screening the Activities of Bacterial GH43 Glycoside Hydrolases.
J.Biol.Chem., 286, 2011
3QFZ
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Crystal Structure of Cellvibrio gilvus Cellobiose Phosphorylase Complexed with Sulfate and 1-Deoxynojirimycin
分子名称: 1-DEOXYNOJIRIMYCIN, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellobiose Phosphorylase, ...
著者Fushinobu, S, Hidaka, M, Hayashi, A.M, Wakagi, T, Shoun, H, Kitaoka, M.
登録日2011-01-24
公開日2011-09-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Interactions between glycoside hydrolase family 94 cellobiose phosphorylase and glucosidase inhibitors
J.Appl.Glyosci., 58, 2011
1S70
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Complex between protein ser/thr phosphatase-1 (delta) and the myosin phosphatase targeting subunit 1 (MYPT1)
分子名称: 130 kDa myosin-binding subunit of smooth muscle myosin phophatase (M130), MANGANESE (II) ION, Serine/threonine protein phosphatase PP1-beta (or delta) catalytic subunit, ...
著者Kerff, F, Terrak, M, Dominguez, R.
登録日2004-01-28
公開日2004-06-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of protein phosphatase 1 regulation
Nature, 429, 2004
1FQG
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MOLECULAR STRUCTURE OF THE ACYL-ENZYME INTERMEDIATE IN TEM-1 BETA-LACTAMASE
分子名称: OPEN FORM - PENICILLIN G, TEM-1 BETA-LACTAMASE
著者Strynadka, N.C.
登録日2000-09-05
公開日2000-11-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular structure of the acyl-enzyme intermediate in beta-lactam hydrolysis at 1.7 A resolution.
Nature, 359, 1992

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