1KIT
| VIBRIO CHOLERAE NEURAMINIDASE | Descriptor: | CALCIUM ION, SIALIDASE | Authors: | Taylor, G.L, Crennell, S.J, Garman, E.F, Vimr, E.R, Laver, W.G. | Deposit date: | 1996-06-21 | Release date: | 1997-06-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of Vibrio cholerae neuraminidase reveals dual lectin-like domains in addition to the catalytic domain. Structure, 2, 1994
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1S81
| PORCINE TRYPSIN WITH NO INHIBITOR BOUND | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ... | Authors: | Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E. | Deposit date: | 2004-01-30 | Release date: | 2004-03-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols. Biochemistry, 43, 2004
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6B7A
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-methyl-1H-benzo[d]imidazol-4-ol | Descriptor: | 2-methyl-1H-benzimidazol-7-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | Deposit date: | 2017-10-03 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization. J. Am. Chem. Soc., 139, 2017
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5JXS
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2I7F
| Sphingomonas yanoikuyae B1 ferredoxin | Descriptor: | CITRIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin component of dioxygenase, ... | Authors: | Ramaswamy, S, Brown, E.N. | Deposit date: | 2006-08-30 | Release date: | 2007-03-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigations of the ferredoxin and terminal oxygenase components of the biphenyl 2,3-dioxygenase from Sphingobium yanoikuyae B1. Bmc Struct.Biol., 7, 2007
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1SPG
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5NGT
| Crystal structure of human MTH1 in complex with inhibitor 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, 7-(furan-2-yl)-5-methyl-1,3-benzoxazol-2-amine, SULFATE ION | Authors: | Gustafsson, R, Rudling, A, Almlof, I, Homan, E, Scobie, M, Warpman Berglund, U, Helleday, T, Carlsson, J, Stenmark, P. | Deposit date: | 2017-03-20 | Release date: | 2017-10-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. J. Med. Chem., 60, 2017
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7VUS
| Crystal structure of AlleyCat9 with 5-nitro-benzotriazole | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-nitro-1H-benzotriazole, AlleyCat, ... | Authors: | Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K. | Deposit date: | 2021-11-04 | Release date: | 2022-07-27 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | NMR-guided directed evolution. Nature, 610, 2022
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7VUR
| Crystal structure of AlleyCat9 with calcium but no inhibitor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, AlleyCat, CALCIUM ION | Authors: | Margheritis, E, Takahashi, K, Korendovych, I.V, Tame, J.R.H. | Deposit date: | 2021-11-04 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | NMR-guided directed evolution. Nature, 610, 2022
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3U8L
| Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3570 (1-(5-phenylpyridin-3-yl)-1,4-diazepane) | Descriptor: | 1-(5-phenylpyridin-3-yl)-1,4-diazepane, Acetylcholine-binding protein, SULFATE ION | Authors: | Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T. | Deposit date: | 2011-10-17 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed. J.Biol.Chem., 287, 2012
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8PAZ
| OXIDIZED NATIVE PSEUDOAZURIN FROM A. FAECALIS | Descriptor: | COPPER (II) ION, PSEUDOAZURIN | Authors: | Adman, E.T, Libeu, C.A.P. | Deposit date: | 1997-02-24 | Release date: | 1997-08-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Site-directed mutants of pseudoazurin: explanation of increased redox potentials from X-ray structures and from calculation of redox potential differences. Biochemistry, 36, 1997
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8PAJ
| Crystal Structure of a Squalene-Hopene cyclase from Archangium gephyra | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | Authors: | Worthy, H.L, Isupov, M.N, Littlechild, J.A, Mitchell, D.E. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure of a mesophilic Squalene-Hopene Cyclases from Cystobacter fuscus and Archangium gephyra To Be Published
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7VUU
| Crystal structure of AlleyCat10 with inhibitor | Descriptor: | 5-nitro-1H-benzotriazole, AlleyCat, CALCIUM ION | Authors: | Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K. | Deposit date: | 2021-11-04 | Release date: | 2022-07-27 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | NMR-guided directed evolution. Nature, 610, 2022
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1SL9
| Obelin from Obelia longissima | Descriptor: | C2-HYDROPEROXY-COELENTERAZINE, Obelin | Authors: | Deng, L, Markova, S, Vysotski, E, Liu, Z.-J, Lee, J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-03-05 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Obelin from Obelia longissima To be Published
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2I39
| Crystal structure of Vaccinia virus N1L protein | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Protein N1 | Authors: | Aoyagi, M, Aleshin, A.E, Stec, B, Liddington, R.C. | Deposit date: | 2006-08-17 | Release date: | 2006-11-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Vaccinia virus N1L protein resembles a B cell lymphoma-2 (Bcl-2) family protein. Protein Sci., 16, 2007
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3HK9
| Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Glucuronate | Descriptor: | CARBONATE ION, CHLORIDE ION, D-glucuronic acid, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C. | Deposit date: | 2009-05-22 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily. Biochemistry, 48, 2009
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5DG3
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6LYF
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7VUT
| Crystal structure of AlleyCat10 | Descriptor: | AlleyCat10, CALCIUM ION | Authors: | Tame, J.R.H, Korendovych, I.V, Margheritis, E, Takahashi, K. | Deposit date: | 2021-11-04 | Release date: | 2022-07-27 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | NMR-guided directed evolution. Nature, 610, 2022
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5L5I
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4ZGO
| Structure of C-terminally truncated Cdc123 from Schizosaccharomyces pombe | Descriptor: | Cell division cycle protein 123 | Authors: | Panvert, M, Dubiez, E, Arnold, L, Perez, J, Seufert, W, Mechulam, Y, Schmitt, E. | Deposit date: | 2015-04-23 | Release date: | 2015-09-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.063 Å) | Cite: | Cdc123, a Cell Cycle Regulator Needed for eIF2 Assembly, Is an ATP-Grasp Protein with Unique Features. Structure, 23, 2015
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5FH8
| Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28 | Descriptor: | 1,2-ETHANEDIOL, 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, DIMETHYL SULFOXIDE, ... | Authors: | Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S. | Deposit date: | 2015-12-21 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex. J.Med.Chem., 59, 2016
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5L60
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8PFD
| Crystal structure of binary complex between Aster yellows witches'-broom phytoplasma effector SAP05 and the von Willebrand Factor Type A domain of the proteasomal ubiquitin receptor Rpn10 from Arabidopsis thaliana | Descriptor: | 26S proteasome non-ATPase regulatory subunit 4 homolog, Sequence-variable mosaic (SVM) signal sequence domain-containing protein | Authors: | Huang, W, Liu, Q, Maqbool, A, Stevenson, C.E.M, Lawson, D.M, Kamoun, S, Hogenhout, S.A. | Deposit date: | 2023-06-15 | Release date: | 2023-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Bimodular architecture of bacterial effector SAP05 that drives ubiquitin-independent targeted protein degradation. Proc.Natl.Acad.Sci.USA, 120, 2023
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7VVL
| PTH-bound human PTH1R in complex with Gs (class2) | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Kobayashi, K, Kusakizako, T, Miyauchi, H, Tomita, A, Kobayashi, K, Shihoya, W, Yamashita, K, Nishizawa, T, Kato, H.E, Nureki, O. | Deposit date: | 2021-11-06 | Release date: | 2022-08-03 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Endogenous ligand recognition and structural transition of a human PTH receptor. Mol.Cell, 82, 2022
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