1SUY
 
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1FIG
 | | ROUTES TO CATALYSIS: STRUCTURE OF A CATALYTIC ANTIBODY AND COMPARISON WITH ITS NATURAL COUNTERPART | | Descriptor: | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, IGG1-KAPPA 1F7 FAB (HEAVY CHAIN), IGG1-KAPPA 1F7 FAB (LIGHT CHAIN) | | Authors: | Haynes, M.R, Stura, E.A, Hilvert, D, Wilson, I.A. | | Deposit date: | 1994-01-07 | | Release date: | 1994-05-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Routes to catalysis: structure of a catalytic antibody and comparison with its natural counterpart.
Science, 263, 1994
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2VCM
 | | Isopenicillin N synthase with substrate analogue AsMCOV | | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHETASE, N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-L-lysine, ... | | Authors: | Ge, W, Clifton, I.J, Adlington, R.M, Baldwin, J.E, Rutledge, P.J. | | Deposit date: | 2007-09-25 | | Release date: | 2008-11-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Studies on the Reaction of Isopenicillin N Synthase with a Sterically Demanding Depsipeptide Substrate Analogue.
Chembiochem, 10, 2009
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1T41
 | | Crystal structure of human aldose reductase complexed with NADP and IDD552 | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID | | Authors: | Ruiz, F, Hazemann, I, Mitschler, A, Chevrier, B, Schneider, T, Joachimiak, A, Karplus, M, Podjarny, A. | | Deposit date: | 2004-04-28 | | Release date: | 2004-08-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48.
Acta Crystallogr.,Sect.D, 60, 2004
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2VJ9
 | | Human BACE-1 in complex with N-((1S,2R)-3-(cyclohexylamino)-2-hydroxy- 1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl) benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-07 | | Release date: | 2008-01-29 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
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2NPM
 | | crystal structure of Cryptosporidium parvum 14-3-3 protein in complex with peptide | | Descriptor: | 14-3-3 domain containing protein, CONSENSUS PEPTIDE FOR 14-3-3 PROTEINS | | Authors: | Dong, A, Lew, J, Wasney, G, Ren, H, Lin, L, Hassanali, A, Qiu, W, Zhao, Y, Doyle, D, Vedadi, M, Koeieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Brokx, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-10-27 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Characterization of 14-3-3 proteins from Cryptosporidium parvum.
Plos One, 6, 2011
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2VER
 | | Structural model for the complex between the Dr adhesins and carcinoembryonic antigen (CEA) | | Descriptor: | AFIMBRIAL ADHESIN AFA-III, ARCINOEMBRYONIC ANTIGEN-RELATED CELL ADHESION MOLECULE 5, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Korotkova, N, Yang, Y, Le Trong, I, Cota, E, Demeler, B, Marchant, J, Thomas, W.E, Stenkamp, R.E, Moseley, S.L, Matthews, S. | | Deposit date: | 2007-10-26 | | Release date: | 2008-01-08 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Binding of Dr Adhesins of Escherichia Coli to Carcinoembryonic Antigen Triggers Receptor Dissociation.
Mol.Microbiol., 67, 2008
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1SQ7
 | | Understanding protein lids: Structural analysis of active hinge mutants in triosephosphate isomerase | | Descriptor: | Triosephosphate isomerase | | Authors: | Kursula, I, Salin, M, Sun, J, Norledge, B.V, Haapalainen, A.M, Sampson, N.S, Wierenga, R.K. | | Deposit date: | 2004-03-18 | | Release date: | 2004-08-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase
Protein Eng.Des.Sel., 17, 2004
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2VIJ
 | | Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-ylamino]propyl}-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | | Authors: | Beswick, P, Charrier, N, Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Gleave, R, Hawkins, J, Hussain, I, Johnson, C.N, Macpherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Skidmore, J, Soleil, V, Smith, K.J, Stanway, S, Stemp, G, Stuart, A, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-04 | | Release date: | 2008-01-29 | | Last modified: | 2019-09-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bace-1 Inhibitors Part 3: Identification of Hydroxy Ethylamines (Heas) with Nanomolar Potency in Cells.
Bioorg.Med.Chem.Lett., 18, 2008
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2VLI
 | | Structure of Deinococcus radiodurans tunicamycin resistance protein | | Descriptor: | ANTIBIOTIC RESISTANCE PROTEIN, CADMIUM ION, CHLORIDE ION | | Authors: | Macedo, S, Kapp, U, Leiros, I, Hall, D.R, Mitchell, E. | | Deposit date: | 2008-01-15 | | Release date: | 2008-06-17 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of Deinococcus Radiodurans Tunicamycin-Resistance Protein (Tmrd), a Phosphotransferase.
Acta Crystallogr.,Sect.F, 64, 2008
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3ISL
 | | Crystal structure of ureidoglycine-glyoxylate aminotransferase (pucG) from Bacillus subtilis | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Purine catabolism protein pucG | | Authors: | Costa, R, Cendron, L, Ramazzina, I, Berni, R, Peracchi, A, Percudani, R, Zanotti, G. | | Deposit date: | 2009-08-26 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Amino acids from purines in GUT bacteria
To be Published
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3IVF
 | | Crystal structure of the talin head FERM domain | | Descriptor: | Talin-1 | | Authors: | Elliott, P.R, Goult, B.T, Bate, N, Grossmann, J.G, Roberts, G.C.K, Critchley, D.R, Barsukov, I.L. | | Deposit date: | 2009-09-01 | | Release date: | 2010-08-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | The Structure of the talin head reveals a novel extended conformation of the FERM domain
Structure, 18, 2010
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1SPQ
 | | Understanding protein lids: Structural analysis of active hinge mutants in triosephosphate isomerase | | Descriptor: | DI(HYDROXYETHYL)ETHER, Triosephosphate isomerase | | Authors: | Kursula, I, Salin, M, Sun, J, Norledge, B.V, Haapalainen, A.M, Sampson, N.S, Wierenga, R.K. | | Deposit date: | 2004-03-17 | | Release date: | 2004-08-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Understanding protein lids: structural analysis of active hinge mutants in triosephosphate isomerase
Protein Eng.Des.Sel., 17, 2004
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1GMI
 | | Structure of the c2 domain from novel protein kinase C epsilon | | Descriptor: | MAGNESIUM ION, PROTEIN KINASE C, EPSILON TYPE | | Authors: | Ochoa, W.F, Garcia-Garcia, J, Fita, I, Corbalan-Garcia, S, Verdaguer, N, Gomez-Fernandez, J.C. | | Deposit date: | 2001-09-14 | | Release date: | 2001-10-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the C2 Domain from Novel Protein Kinase Cepsilon. A Membrane Binding Model for Ca(2+ )-Independent C2 Domains
J.Mol.Biol., 311, 2001
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1S6X
 | | Solution structure of VSTx | | Descriptor: | KvAP CHANNEL | | Authors: | Jung, H.J, Eu, Y.J, Kim, J.I. | | Deposit date: | 2004-01-28 | | Release date: | 2005-03-22 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution structure and lipid membrane partitioning of VSTx1, an inhibitor of the KvAP potassium channel.
Biochemistry, 44, 2005
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5DZS
 | | 1.5 Angstrom Crystal Structure of Shikimate Dehydrogenase 1 from Peptoclostridium difficile. | | Descriptor: | SULFATE ION, Shikimate dehydrogenase (NADP(+)) | | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Flores, K, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-09-26 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 1.5 Angstrom Crystal Structure of Shikimate Dehydrogenase 1 from Peptoclostridium difficile.
To Be Published
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3I7K
 | | Crystal Structure of DDB1 in Complex with the H-Box Motif of WHX | | Descriptor: | DNA damage-binding protein 1, X protein | | Authors: | Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N. | | Deposit date: | 2009-07-08 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery.
Nat.Struct.Mol.Biol., 17, 2010
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3I8E
 | | Crystal Structure of DDB1 in Complex with the H-Box Motif of WDR42A | | Descriptor: | DNA damage-binding protein 1, WD repeat-containing protein 42A | | Authors: | Li, T, Robert, E.I, Breugel, P.C.V, Strubin, M, Zheng, N. | | Deposit date: | 2009-07-09 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | A promiscuous alpha-helical motif anchors viral hijackers and substrate receptors to the CUL4-DDB1 ubiquitin ligase machinery.
Nat.Struct.Mol.Biol., 17, 2010
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1S05
 | | NMR-validated structural model for oxidized R.palustris cytochrome c556 | | Descriptor: | Cytochrome c-556, HEME C | | Authors: | Bertini, I, Faraone-Mennella, J, Gray, H.B, Luchinat, C, Parigi, G, Winkler, J.R. | | Deposit date: | 2003-12-30 | | Release date: | 2004-01-20 | | Last modified: | 2021-03-03 | | Method: | SOLUTION NMR | | Cite: | NMR-validated structural model for oxidized Rhodopseudomonas palustris cytochrome c(556).
J.Biol.Inorg.Chem., 9, 2004
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1S0J
 | | Trypanosoma cruzi trans-sialidase in complex with MuNANA (Michaelis complex) | | Descriptor: | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-NON-2-ULOPYRANOSIDONIC ACID, trans-sialidase | | Authors: | Amaya, M.F, Watts, A.G, Damager, I, Wehenkel, A, Nguyen, T, Buschiazzo, A, Paris, G, Frasch, A.C, Withers, S.G, Alzari, P.M. | | Deposit date: | 2003-12-31 | | Release date: | 2004-05-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Insights into the Catalytic Mechanism of Trypanosoma cruzi trans-Sialidase.
Structure, 12, 2004
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1GIW
 | | SOLUTION STRUCTURE OF REDUCED HORSE HEART CYTOCHROME C, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | CYTOCHROME C, HEME C | | Authors: | Banci, L, Bertini, I, Huber, J.G, Spyroulias, G.A, Turano, P. | | Deposit date: | 1998-06-17 | | Release date: | 1998-12-09 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of reduced horse heart cytochrome c.
J.Biol.Inorg.Chem., 4, 1999
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1GMZ
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1GN3
 | | H145Q mutant of Mycobacterium tuberculosis iron-superoxide dismutase. | | Descriptor: | FE (III) ION, SUPEROXIDE DISMUTASE | | Authors: | Bunting, K.A, Cooper, J.B, Badasso, M.O, Tickle, I.J, Newton, M, Wood, S.P, Zhang, Y, Young, D.B. | | Deposit date: | 2001-10-02 | | Release date: | 2001-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Engineering a Change in the Metal-Ion Specificity of the Iron-Depedent Superoxide Dismutase from Mycobacterium Tuberculosis. X-Ray Structure Analysis of Site-Directed Mutants.
Eur.J.Biochem., 251, 1998
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5DKN
 | | Crystal Structure of Calcium-loaded S100B bound to SBi4225 | | Descriptor: | 2,2'-[heptane-1,7-diylbis(oxybenzene-4,1-diyl)]bis(1H-imidazole), CALCIUM ION, Protein S100-B | | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | | Deposit date: | 2015-09-03 | | Release date: | 2016-01-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.528 Å) | | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations.
J.Med.Chem., 59, 2016
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1SIX
 | | Mycobacterium tuberculosis dUTPase complexed with magnesium and alpha,beta-imido-dUTP | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | Authors: | Sawaya, M.R, Chan, S, Segelke, B, Lekin, T, Krupka, H, Cho, U.-S, Kim, M, So, M, Kim, C.-Y, Naranjo, C.M, Rogers, Y.C, Park, M.S, Waldo, G.S, Pashkov, I, Cascio, D, Yeates, T.O, Perry, J.L, Terwilliger, T.C, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2004-03-01 | | Release date: | 2004-03-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism.
J.Mol.Biol., 341, 2004
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