2WQZ
 
 | | Crystal structure of synaptic protein neuroligin-4 in complex with neurexin-beta 1: alternative refinement | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEUREXIN-1-BETA, ... | | Authors: | Fabrichny, I.P, Leone, P, Sulzenbacher, G, Comoletti, D, Miller, M.T, Taylor, P, Bourne, Y, Marchot, P. | | Deposit date: | 2009-08-28 | | Release date: | 2009-09-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Structural Analysis of the Synaptic Protein Neuroligin and its Beta-Neurexin Complex: Determinants for Folding and Cell Adhesion.
Neuron, 56, 2007
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1NAQ
 | | Crystal structure of CUTA1 from E.coli at 1.7 A resolution | | Descriptor: | MERCURIBENZOIC ACID, MERCURY (II) ION, Periplasmic divalent cation tolerance protein cutA | | Authors: | Calderone, V, Mangani, S, Benvenuti, M, Viezzoli, M.S, Banci, L, Bertini, I, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2002-11-28 | | Release date: | 2003-11-25 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The evolutionarily conserved trimeric structure of CutA1 proteins suggests a role in signal transduction.
J.Biol.Chem., 278, 2003
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5WLO
 | | a novel 13-ring macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2017-07-27 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Design, synthesis, X-ray studies, and biological evaluation of novel macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands.
Bioorg. Med. Chem. Lett., 27, 2017
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3N2L
 | | 2.1 Angstrom resolution crystal structure of an Orotate Phosphoribosyltransferase (pyrE) from Vibrio cholerae O1 biovar eltor str. N16961 | | Descriptor: | CHLORIDE ION, Orotate phosphoribosyltransferase | | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-05-18 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 2.1 Angstrom resolution crystal structure of an Orotate Phosphoribosyltransferase
(pyrE) from Vibrio cholerae O1 biovar eltor str. N16961
To be Published
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4HOP
 | | Crystal structure of the computationally designed NNOS-Syntrophin complex | | Descriptor: | Alpha-1-syntrophin, Nitric oxide synthase, brain | | Authors: | Harwood, I.M, Melero, C, Ollikainen, N, Kortemme, T. | | Deposit date: | 2012-10-22 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Quantification of the transferability of a designed protein specificity switch reveals extensive epistasis in molecular recognition.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5WQF
 | | Structure of fungal meroterpenoid isomerase Trt14 | | Descriptor: | CALCIUM ION, Isomerase trt14, N-PROPANOL | | Authors: | Mori, T, Iwabuchi, T, Matsuda, Y, Abe, I. | | Deposit date: | 2016-11-26 | | Release date: | 2017-07-26 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Molecular basis for the unusual ring reconstruction in fungal meroterpenoid biogenesis
Nat. Chem. Biol., 13, 2017
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5WPB
 | | Crystal structure of fragment 3-(3-(pyridin-2-ylmethoxy)quinoxalin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Tempel, W, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-08-04 | | Release date: | 2017-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
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4C4E
 | | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, N-(3,4-dimethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine, ... | | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | | Deposit date: | 2013-09-05 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
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1NB3
 | | Crystal structure of stefin A in complex with cathepsin H: N-terminal residues of inhibitors can adapt to the active sites of endo-and exopeptidases | | Descriptor: | CATHEPSIN H MINI CHAIN, Cathepsin H, Stefin A, ... | | Authors: | Jenko, S, Dolenc, I, Guncar, G, Dobersek, A, Podobnik, M, Turk, D. | | Deposit date: | 2002-12-02 | | Release date: | 2003-02-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of stefin A in complex with cathepsin H: N-terminal residues of inhibitors can adapt to the active sites of endo- and exopeptidases
J.Mol.Biol., 326, 2003
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5WQG
 | | Structure of fungal meroterpenoid isomerase Trt14 complexed with terretonin D | | Descriptor: | CALCIUM ION, Isomerase trt14, methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene) -5,6a,9,10,10b,11-hexahydro-4aH-naphtho[1,2-h]isochromene-2-carboxylate | | Authors: | Mori, T, Matsuda, Y, Abe, I. | | Deposit date: | 2016-11-26 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the unusual ring reconstruction in fungal meroterpenoid biogenesis
Nat. Chem. Biol., 13, 2017
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4C4G
 | | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | | Deposit date: | 2013-09-05 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
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5WSL
 | | Structural studies of keratinase from Meiothermus taiwanensis WR-220 | | Descriptor: | CALCIUM ION, SULFATE ION, keratinase | | Authors: | Ho, M.C, Wu, S.H, Chen, M.Y, Tu, I.F. | | Deposit date: | 2016-12-07 | | Release date: | 2017-10-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The discovery of novel heat-stable keratinases from Meiothermus taiwanensis WR-220 and other extremophiles
Sci Rep, 7, 2017
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6F5P
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1LUC
 | | BACTERIAL LUCIFERASE | | Descriptor: | 1,2-ETHANEDIOL, BACTERIAL LUCIFERASE, MAGNESIUM ION | | Authors: | Fisher, A.J, Rayment, I. | | Deposit date: | 1996-05-10 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The 1.5-A resolution crystal structure of bacterial luciferase in low salt conditions.
J.Biol.Chem., 271, 1996
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1KX0
 | | Rat mannose protein A (H189V I207V) complexed with man-a13-man | | Descriptor: | CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN A, ... | | Authors: | Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I. | | Deposit date: | 2002-01-30 | | Release date: | 2002-07-05 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
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4J26
 | | Estrogen Receptor in complex with proline-flanked LXXLL peptides | | Descriptor: | 12-mer Peptide, ESTRADIOL, Estrogen receptor beta | | Authors: | Fuchs, S, Nguyen, H.D, Phan, T, Burton, M, Nieto, L, de Vries-van Leeuwen, I, Schmidt, A, Goodarzifard, M, Agten, S, Rose, R, Ottmann, C, Milroy, L.G, Brunsveld, L. | | Deposit date: | 2013-02-04 | | Release date: | 2013-03-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Proline primed helix length as a modulator of the nuclear receptor-coactivator interaction
J.Am.Chem.Soc., 135, 2013
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4J24
 | | Estrogen Receptor in complex with proline-flanked LXXLL peptides | | Descriptor: | 19-mer peptide, ESTRADIOL, Estrogen receptor beta | | Authors: | Fuchs, S, Nguyen, H.D, Phan, T, Burton, M, Nieto, L, de Vries-van Leeuwen, I, Schmidt, A, Goodarzifard, M, Agten, S, Rose, R, Ottmann, C, Milroy, L.G, Brunsveld, L. | | Deposit date: | 2013-02-04 | | Release date: | 2013-03-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Proline primed helix length as a modulator of the nuclear receptor-coactivator interaction
J.Am.Chem.Soc., 135, 2013
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5TH0
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1KWZ
 | | Rat mannose protein A (H189V) complexed with Man-a13-Man | | Descriptor: | CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN A, ... | | Authors: | Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I. | | Deposit date: | 2002-01-30 | | Release date: | 2002-07-05 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
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1KWV
 | | Rat mannose binding protein A complexed with a-Me-GlcNAc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I. | | Deposit date: | 2002-01-30 | | Release date: | 2002-07-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
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1DBK
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1HML
 | | ALPHA_LACTALBUMIN POSSESSES A DISTINCT ZINC BINDING SITE | | Descriptor: | ALPHA-LACTALBUMIN, CALCIUM ION, SULFATE ION, ... | | Authors: | Ren, J, Stuart, D.I, Acharya, K.R. | | Deposit date: | 1994-09-29 | | Release date: | 1995-01-26 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Alpha-lactalbumin possesses a distinct zinc binding site.
J.Biol.Chem., 268, 1993
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5T82
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4C4I
 | | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(dimethylcarbamoyl)phenyl]amino}-2-(1,3-oxazol-5-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | | Deposit date: | 2013-09-05 | | Release date: | 2013-12-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1).
J.Med.Chem., 56, 2013
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1M7W
 | | HNF4a ligand binding domain with bound fatty acid | | Descriptor: | Hepatocyte nuclear factor 4-alpha, LAURIC ACID | | Authors: | Dhe-Paganon, S, Duda, K, Iwamoto, M, Chi, Y.I, Shoelson, S.E. | | Deposit date: | 2002-07-22 | | Release date: | 2003-07-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the HNF4 alpha ligand binding domain in complex with endogenous fatty acid ligand
J.Biol.Chem., 277, 2002
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