2ZPH
| Complex of Fe-type nitrile hydratase with tert-butylisonitrile, photo-activated for 340min at 293K | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, MAGNESIUM ION, ... | Authors: | Hashimoto, K, Suzuki, H, Taniguchi, K, Noguchi, T, Yohda, M, Odaka, M. | Deposit date: | 2008-07-11 | Release date: | 2008-10-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Catalytic mechanism of nitrile hydratase proposed by time-resolved X-ray crystallography using a novel substrate, tert-butylisonitrile J.Biol.Chem., 283, 2008
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1WAR
| Recombinant Human Purple Acid Phosphatase expressed in Pichia Pastoris | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, HUMAN PURPLE ACID PHOSPHATASE, ... | Authors: | Duff, A.P, Langley, D.B, Han, R, Averill, B.A, Freeman, H.C, Guss, J.M. | Deposit date: | 2004-10-28 | Release date: | 2005-07-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal Structures of Recombinant Human Purple Acid Phosphatase with and without an Inhibitory Conformation of the Repression Loop. J.Mol.Biol., 351, 2005
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1L4B
| Crystal Structure of CobT in apo state | Descriptor: | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase, PHOSPHATE ION | Authors: | Cheong, C.-G, Escalante-Semerena, J, Rayment, I. | Deposit date: | 2002-03-04 | Release date: | 2002-09-07 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Capture of a labile substrate by expulsion of water molecules from the active site of nicotinate mononucleotide:5,6-dimethylbenzimidazole phosphoribosyltransferase (CobT) from Salmonella enterica. J.Biol.Chem., 277, 2002
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1A4P
| P11 (S100A10), LIGAND OF ANNEXIN II | Descriptor: | S100A10 | Authors: | Rety, S, Sopkova, J, Renouard, M, Osterloh, D, Gerke, V, Russo-Marie, F, Lewit-Bentley, A. | Deposit date: | 1998-01-30 | Release date: | 1998-05-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The crystal structure of a complex of p11 with the annexin II N-terminal peptide. Nat.Struct.Biol., 6, 1999
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6JLV
| Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-03-07 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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6JMW
| Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Chromium Protoporphyrin IX, ... | Authors: | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-03-13 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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1TC8
| Crystal structure of Krait-venom phospholipase A2 in a complex with a natural fatty acid tridecanoic acid | Descriptor: | N-TRIDECANOIC ACID, SODIUM ION, phospholipase A2 isoform 1 | Authors: | Singh, G, Jasti, J, Saravanan, K, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2004-05-21 | Release date: | 2004-06-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the complex formed between a group I phospholipase A2 and a naturally occurring fatty acid at 2.7 A resolution PROTEIN SCI., 14, 2005
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2ONG
| Crystal Structure of of limonene synthase with 2-fluorogeranyl diphosphate (FGPP). | Descriptor: | (1S)-1-[(1R)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4S-limonene synthase, ... | Authors: | Hyatt, D.C, Youn, B, Croteau, R, Kang, C. | Deposit date: | 2007-01-23 | Release date: | 2007-03-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of limonene synthase, a simple model for terpenoid cyclase catalysis. Proc.Natl.Acad.Sci.Usa, 104, 2007
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6SS9
| Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Rizkallah, P.J, Bovay, A. | Deposit date: | 2019-09-06 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening. Mol.Immunol., 125, 2020
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5WJO
| Crystal structure of the unliganded PG90 TCR | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PG90 TCR alpha chain, ... | Authors: | Shahine, A, Gras, S, Rossjohn, J. | Deposit date: | 2017-07-24 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol, 2, 2017
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1RSU
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1GDK
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7VDN
| High resolution crystal structure of Sperm Whale Myoglobin in the carbonmonoxy form | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Shibayama, N, Sato-Tomita, A, Ishimoto, N, Park, S.Y. | Deposit date: | 2021-09-07 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | X-ray fluorescence holography of biological metal sites: Application to myoglobin. Biochem.Biophys.Res.Commun., 635, 2022
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2FMG
| Carbonic anhydrase activators. Activation of isoforms I, II, IV, VA, VII and XIV with L- and D- phenylalanine and crystallographic analysis of their adducts with isozyme II: sterospecific recognition within the active site of an enzyme and its consequences for the drug design, structure with L-phenylalanine | Descriptor: | Carbonic anhydrase 2, MERCURY (II) ION, PHENYLALANINE, ... | Authors: | Temperini, C, Scozzafava, A, Vullo, D, Supuran, C.T. | Deposit date: | 2006-01-09 | Release date: | 2006-05-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, VA, VII, and XIV with l- and d-Phenylalanine and Crystallographic Analysis of Their Adducts with Isozyme II: Stereospecific Recognition within the Active Site of an Enzyme and Its Consequences for the Drug Design. J.Med.Chem., 49, 2006
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2OQJ
| Crystal structure analysis of Fab 2G12 in complex with peptide 2G12.1 | Descriptor: | Fab 2G12 heavy chain, Fab 2G12 light chain, peptide 2G12.1 (ACPPSHVLDMRSGTCLAAEGK) | Authors: | Calarese, D.A, Stanfield, R.L, Menendez, A, Scott, J.K, Wilson, I.A. | Deposit date: | 2007-01-31 | Release date: | 2008-01-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A peptide inhibitor of HIV-1 neutralizing antibody 2G12 is not a structural mimic of the natural carbohydrate epitope on gp120. Faseb J., 22, 2008
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2PO3
| Crystal Structure Analysis of DesI in the presence of its TDP-sugar product | Descriptor: | (2R,3R,4S,5S,6R)-3,4-DIHYDROXY-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, 4-dehydrase | Authors: | Burgie, E.S, Holden, H.M. | Deposit date: | 2007-04-25 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Architecture of DesI: A Key Enzyme in the Biosynthesis of Desosamine Biochemistry, 46, 2007
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2POQ
| Dimeric Dihydrodiol Dehydrogenase complexed with inhibitor, Isoascorbic acid | Descriptor: | BETA-MERCAPTOETHANOL, Dimeric dihydrodiol dehydrogenase, ISOASCORBIC ACID, ... | Authors: | Carbone, V, El-Kabbani, O. | Deposit date: | 2007-04-27 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structure of monkey dimeric dihydrodiol dehydrogenase in complex with isoascorbic acid. Acta Crystallogr.,Sect.D, 64, 2008
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6GNS
| Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand | Descriptor: | Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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3DWQ
| Crystal structure of the A-subunit of the AB5 toxin from E. coli with Neu5Gc-2,3Gal-1,3GlcNAc | Descriptor: | AZIDE ION, N-PROPANOL, N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ... | Authors: | Byres, E, Paton, A.W, Paton, J.C, Lofling, J.C, Smith, D.F, Wilce, M.C.J, Talbot, U.M, Chong, D.C, Yu, H, Huang, S, Chen, X, Varki, N.M, Varki, A, Rossjohn, J, Beddoe, T. | Deposit date: | 2008-07-22 | Release date: | 2008-11-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin Nature, 456, 2008
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2PTX
| Crystal Structure of the T. brucei enolase complexed with sulphate in closed conformation | Descriptor: | 1,2-ETHANEDIOL, Enolase, SULFATE ION, ... | Authors: | Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G. | Deposit date: | 2007-05-08 | Release date: | 2007-11-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics. Febs J., 274, 2007
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1TOK
| Maleic acid-bound structure of SRHEPT mutant of E. coli aspartate aminotransferase | Descriptor: | Aspartate aminotransferase, MALEIC ACID | Authors: | Chow, M.A, McElroy, K.E, Corbett, K.D, Berger, J.M, Kirsch, J.F. | Deposit date: | 2004-06-14 | Release date: | 2004-10-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Narrowing substrate specificity in a directly evolved enzyme: the A293D mutant of aspartate aminotransferase Biochemistry, 43, 2004
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6GJR
| Cyclophilin A complexed with tri-vector ligand 9. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-16 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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6GJY
| Cyclophilin A complexed with tri-vector ligand 5. | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate | Authors: | Georgiou, C, De Simone, A, Walkinshaw, M.D, Michel, J. | Deposit date: | 2018-05-17 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | A computationally designed binding mode flip leads to a novel class of potent tri-vector cyclophilin inhibitors. Chem Sci, 10, 2019
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2PVR
| Crystal structure of the catalytic subunit of protein kinase CK2 (C-terminal deletion mutant 1-335) in complex with two sulfate ions | Descriptor: | Casein kinase II subunit alpha, catalytic subunit, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Niefind, K, Yde, C.W, Ermakova, I, Issinger, O.-G. | Deposit date: | 2007-05-10 | Release date: | 2007-06-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.605 Å) | Cite: | Evolved to Be Active: Sulfate Ions Define Substrate Recognition Sites of CK2alpha and Emphasise its Exceptional Role within the CMGC Family of Eukaryotic Protein Kinases J.Mol.Biol., 370, 2007
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1RXC
| E. COLI uridine phosphorylase: 5-fluorouracil ribose-1-phosphate complex | Descriptor: | 1-O-phosphono-alpha-D-ribofuranose, 5-FLUOROURACIL, 5-FLUOROURIDINE, ... | Authors: | Caradoc-Davies, T.T, Cutfield, S.M, Lamont, I.L, Cutfield, J.F. | Deposit date: | 2003-12-18 | Release date: | 2004-04-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structures of escherichia coli uridine phosphorylase in two native and three complexed forms reveal basis of substrate specificity, induced conformational changes and influence of potassium J.Mol.Biol., 337, 2004
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