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2GUE
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BU of 2gue by Molmil
Crystal structure of a complex of griffithsin with N-acetylglucosamine
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ...
著者Ziolkowska, N.E, Wlodawer, A.
登録日2006-04-29
公開日2006-08-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Domain-swapped structure of the potent antiviral protein griffithsin and its mode of carbohydrate binding.
Structure, 14, 2006
2PYE
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BU of 2pye by Molmil
Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC RevealNative Diagonal Binding Geometry TCR Clone C5C1 Complexed with MHC
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Beta-2-microglobulin, Cancer/testis antigen 1B, ...
著者Sami, M, Rizkallah, P.J, Dunn, S, Li, Y, Moysey, R, Vuidepot, A, Baston, E, Todorov, P, Molloy, P, Gao, F, Boulter, J.M, Jakobsen, B.K.
登録日2007-05-16
公開日2007-09-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of high affinity human T-cell receptors bound to peptide major histocompatibility complex reveal native diagonal binding geometry
Protein Eng.Des.Sel., 20, 2007
3PFP
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BU of 3pfp by Molmil
Structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis in complex with an active site inhibitor
分子名称: (2R)-2,7-bis(phosphonooxy)heptanoic acid, (2S)-2,7-bis(phosphonooxy)heptanoic acid, CHLORIDE ION, ...
著者Reichau, S, Jiao, W, Walker, S.R, Hutton, R.D, Parker, E.J, Baker, E.N.
登録日2010-10-28
公開日2011-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Potent inhibitors of a shikimate pathway enzyme from Mycobacterium tuberculosis: combining mechanism- and modeling-based design
J.Biol.Chem., 286, 2011
2XZ5
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MMTS-modified Y53C mutant of Aplysia AChBP in complex with acetylcholine
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE, ...
著者Brams, M, Gay, E.A, Colon Saez, J, Guskov, A, van Elk, R, van der Schors, R.C, Peigneur, S, Tytgat, J, Strelkov, S.V, Smit, A.B, Yakel, J.L, Ulens, C.
登録日2010-11-23
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of a Cysteine-Modified Mutant in Loop D of Acetylcholine Binding Protein
J.Biol.Chem., 286, 2011
2GXA
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Crystal structure of papillomavirus E1 hexameric helicase with ssDNA and MgADP
分子名称: 5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3', ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Enemark, E.J, Joshua-Tor, L.
登録日2006-05-08
公開日2006-07-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Mechanism of DNA translocation in a replicative hexameric helicase.
Nature, 442, 2006
2NQ9
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BU of 2nq9 by Molmil
High resolution crystal structure of Escherichia coli endonuclease IV (Endo IV) Y72A mutant bound to damaged DNA
分子名称: 5'-D(*AP*TP*AP*TP*CP*T)-3', 5'-D(*AP*TP*CP*TP*GP*AP*AP*GP*TP*AP*T)-3', 5'-D(P*(3DR)P*AP*GP*AP*T)-3', ...
著者Garcin-Hosfield, E.D, Hosfield, D.J, Tainer, J.A.
登録日2006-10-30
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献DNA apurinic-apyrimidinic site binding and excision by endonuclease IV.
Nat.Struct.Mol.Biol., 15, 2008
2XN9
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Crystal structure of the ternary complex between human T cell receptor, staphylococcal enterotoxin H and human major histocompatibility complex class II
分子名称: ENTEROTOXIN H, GLYCEROL, HEMAGGLUTININ, ...
著者Saline, M, Rodstrom, K.E.J, Fischer, G, Orekhov, V.Y, Karlsson, B.G, Lindkvist-Petersson, K.
登録日2010-07-31
公開日2010-11-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Structure of Superantigen Complexed with Tcr and Mhc Reveals Novel Insights Into Superantigenic T Cell Activation.
Nat.Commun., 1, 2010
2XRI
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Crystal structure of human ERI1 exoribonuclease 3
分子名称: ERI1 EXORIBONUCLEASE 3, GLYCEROL, MAGNESIUM ION
著者Welin, M, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Weigelt, J, Nordlund, P.
登録日2010-09-15
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of Human Eri1 Exoribonuclease 3
To be Published
4B8C
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BU of 4b8c by Molmil
nuclease module of the yeast Ccr4-Not complex
分子名称: GENERAL NEGATIVE REGULATOR OF TRANSCRIPTION SUBUNIT 1, GLUCOSE-REPRESSIBLE ALCOHOL DEHYDROGENASE TRANSCRIPTIONAL EFFECTOR, POLY(A) RIBONUCLEASE POP2
著者Basquin, J, Conti, E.
登録日2012-08-26
公開日2012-11-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献Architecture of the Nuclease Module of the Yeast Ccr4-not Complex: The not1-Caf1-Ccr4 Interaction.
Mol.Cell, 48, 2012
1H5U
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BU of 1h5u by Molmil
THE 1.76 A RESOLUTION CRYSTAL STRUCTURE OF GLYCOGEN PHOSPHORYLASE B COMPLEXED WITH GLUCOSE AND CP320626, A POTENTIAL ANTIDIABETIC DRUG
分子名称: 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, GLYCOGEN PHOSPHORYLASE, PYRIDOXAL-5'-PHOSPHATE, ...
著者Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Archontis, G.
登録日2001-05-25
公開日2001-06-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The 1.76 A Resolution Crystal Structure of Glycogen Phosphorylase B Complexed with Glucose, and Cp320626, a Potential Antidiabetic Drug
Bioorg.Med.Chem., 10, 2002
4N9U
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BU of 4n9u by Molmil
The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
分子名称: 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ...
著者Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Pilka, E, Kwaasi, A.A, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, Oppermann, U, Russell, R.G.G, Dunford, J.E.
登録日2013-10-21
公開日2014-10-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
TO BE PUBLISHED
2XDL
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BU of 2xdl by Molmil
Structure of HSP90 with small molecule inhibitor bound
分子名称: 2-METHYL-4-DIETHYLAMIDE-PHENOL, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A.
登録日2010-05-04
公開日2010-09-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
2XDS
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BU of 2xds by Molmil
Structure of HSP90 with small molecule inhibitor bound
分子名称: 1-CHLORO-4-METHYLPHTHALAZINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A.
登録日2010-05-07
公開日2010-09-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
3BK0
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BU of 3bk0 by Molmil
Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Complexed with 5-CN-UMP
分子名称: 5-CYANO-URIDINE-5'-MONOPHOSPHATE, GLYCEROL, SULFATE ION, ...
著者Liu, Y, Tang, H.L, Avina, M.E.M, Kotra, L.P, Pai, E.F.
登録日2007-12-05
公開日2008-11-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Human Orotidine 5'-monophosphate Decarboxylase Complexed with 5-CN-UMP
To be Published
4B0R
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BU of 4b0r by Molmil
Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway
分子名称: DEAMIDASE-DEPUPYLASE DOP
著者Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E.
登録日2012-07-04
公開日2012-09-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of Pup ligase PafA and depupylase Dop from the prokaryotic ubiquitin-like modification pathway.
Nat Commun, 3, 2012
2XNA
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BU of 2xna by Molmil
Crystal structure of the complex between human T cell receptor and staphylococcal enterotoxin
分子名称: ENTEROTOXIN H, GLYCEROL, SODIUM ION, ...
著者Saline, M, Rodstrom, K.E.J, Fischer, G, Orekhov, V.Y, Karlsson, B.G, Lindkvist-Petersson, K.
登録日2010-07-31
公開日2010-11-24
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 Superantigen Complexed with Tcr and Mhc Reveals Novel Insights Into Superantigenic T Cell Activation.
Nat.Commun., 1, 2010
4NYY
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BU of 4nyy by Molmil
Structure of Vibrio cholerae chitin de-N-acetylase in complex with acetate ion (ACT) in P 2 21 21
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Deacetylase DA1, ...
著者Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E.
登録日2013-12-11
公開日2014-08-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis of chitin oligosaccharide deacetylation.
Angew.Chem.Int.Ed.Engl., 53, 2014
2XJG
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BU of 2xjg by Molmil
Structure of HSP90 with small molecule inhibitor bound
分子名称: 1,3-DIHYDROISOINDOL-2-YL-(2-HYDROXY-4-METHOXY-5-PROPAN-2-YL-PHENYL)METHANONE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, B, Woodhead, A.J, Woolford, A.J.A.
登録日2010-07-06
公開日2010-08-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
3FLU
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BU of 3flu by Molmil
Crystal structure of dihydrodipicolinate synthase from the pathogen Neisseria meningitidis
分子名称: Dihydrodipicolinate synthase, GLYCEROL, SULFATE ION
著者Devenish, S.R.A, Hadfield, A.T.
登録日2008-12-19
公開日2009-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cloning and characterisation of dihydrodipicolinate synthase from the pathogen Neisseria meningitidis.
Biochim.Biophys.Acta, 2009
1GUE
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BU of 1gue by Molmil
SENSORY RHODOPSIN II
分子名称: CHLORIDE ION, RETINAL, SENSORY RHODOPSIN II
著者Edman, K, Royant, A, Nollert, P, Maxwell, C.A, Pebay-Peyroula, E, Navarro, J, Neutze, R, Landau, E.M.
登録日2002-01-24
公開日2002-04-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Early Structural Rearrangements in the Photocycle of an Integral Membrane Sensory Receptor
Structure, 10, 2002
2NO0
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BU of 2no0 by Molmil
C4S dCK variant of dCK in complex with gemcitabine+ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, GEMCITABINE
著者Sabini, E, Hazra, S, Konrad, M, Burley, S.K, Lavie, A.
登録日2006-10-24
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Nonenantioselectivity Property of Human Deoxycytidine Kinase Explained by Structures of the Enzyme in Complex with l- and d-Nucleosides.
J.Med.Chem., 50, 2007
1LT5
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BU of 1lt5 by Molmil
HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH THIODIGALACTOSIDE
分子名称: HEAT-LABILE ENTEROTOXIN, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose
著者Merritt, E.A, Hol, W.G.J.
登録日1997-09-30
公開日1997-12-03
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural foundation for the design of receptor antagonists targeting Escherichia coli heat-labile enterotoxin.
Structure, 5, 1997
1LI1
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The 1.9-A crystal structure of the noncollagenous (NC1) domain of human placenta collagen IV shows stabilization via a novel type of covalent Met-Lys cross-link
分子名称: ACETATE ION, Collagen alpha 1(IV), Collagen alpha 2(IV)
著者Than, M.E, Henrich, S, Huber, R, Ries, A, Mann, K, Kuhn, K, Timpl, R, Bourenkov, G.P, Bartunik, H.D, Bode, W.
登録日2002-04-17
公開日2002-05-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The 1.9-A crystal structure of the noncollagenous (NC1) domain of human placenta collagen IV shows stabilization via a novel type of covalent Met-Lys cross-link.
Proc.Natl.Acad.Sci.USA, 99, 2002
2NP5
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Crystal structure of a transcriptional regulator (RHA1_ro04179) from Rhodococcus sp. Rha1.
分子名称: DODECYL-BETA-D-MALTOSIDE, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE, Transcriptional regulator
著者Chruszcz, M, Evdokimova, E, Kagan, O, Cymborowski, M, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2006-10-26
公開日2006-11-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a transcriptional regulator (RHA1_ro04179) from Rhodococcus sp. Rha1.
TO BE PUBLISHED
4NZ1
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Structure of Vibrio cholerae chitin de-N-acetylase in complex with DI(N-ACETYL-D-GLUCOSAMINE) (CBS) in P 21
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E.
登録日2013-12-11
公開日2014-08-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Structural basis of chitin oligosaccharide deacetylation.
Angew.Chem.Int.Ed.Engl., 53, 2014

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