4CXL
 
 | | Human insulin analogue (D-ProB8)-insulin | | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN | | Authors: | Kosinova, L, Veverka, V, Novotna, P, Collinsova, M, Urbanova, M, Jiracek, J, Moody, N.R, Turkenburg, J.P, Brzozowski, A.M, Zakova, L. | | Deposit date: | 2014-04-07 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | An Insight Into Structural and Biological Relevance of the T/R Transition of the B-Chain N-Terminus in Human Insulin.
Biochemistry, 53, 2014
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3IU6
 | | Crystal structure of the sixth bromodomain of human poly-bromodomain containing protein 1 (PB1) | | Descriptor: | 1,2-ETHANEDIOL, Protein polybromo-1, ZINC ION | | Authors: | Filippakopoulos, P, Keates, T, Picaud, S, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-08-30 | | Release date: | 2009-09-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
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5AP1
 | | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | | Descriptor: | 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, DUAL SPECIFICITY PROTEIN KINASE TTK, GLYCEROL, ... | | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.J, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R.L.M, Linardopoulos, S. | | Deposit date: | 2015-09-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance.
Cancer Res., 75, 2015
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1SR7
 | | Progesterone Receptor Hormone Binding Domain with Bound Mometasone Furoate | | Descriptor: | GLYCEROL, MOMETASONE FUROATE, Progesterone receptor, ... | | Authors: | Madauss, K.P, Deng, S.-J, Austin, R.J, Lambert, M.H, McLay, I, Pritchard, J, Short, S.A, Stewart, E.L, Uings, I.J, Williams, S.P. | | Deposit date: | 2004-03-22 | | Release date: | 2004-06-22 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Progesterone receptor ligand binding pocket flexibility: crystal structures of the norethindrone and mometasone furoate complexes
J.Med.Chem., 47, 2004
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1SN8
 | | Crystal structure of the S1 domain of RNase E from E. coli (Pb derivative) | | Descriptor: | LEAD (II) ION, Ribonuclease E | | Authors: | Schubert, M, Edge, R.E, Lario, P, Cook, M.A, Strynadka, N.C.J, Mackie, G.A, McIntosh, L.P. | | Deposit date: | 2004-03-10 | | Release date: | 2004-08-17 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural characterization of the RNase E S1 domain and identification of its oligonucleotide-binding and dimerization interfaces.
J.Mol.Biol., 341, 2004
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5HYQ
 | | Cetuximab Fab in complex with amidated meditope | | Descriptor: | Amidated meditope, Cetuximab heavy chain, Cetuximab light chain, ... | | Authors: | Bzymek, K.P, Williams, J.C. | | Deposit date: | 2016-02-01 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.477 Å) | | Cite: | Cyclization strategies of meditopes: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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1ADZ
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5HZK
 | | Crystal structure of photoinhibitable Intersectin1 containing wildtype LOV2 domain in complex with Cdc42 | | Descriptor: | Cell division control protein 42 homolog, FLAVIN MONONUCLEOTIDE, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Tarnawski, M, Dagliyan, O, Chu, P.H, Shirvanyants, D, Dokholyan, N.V, Hahn, K.M, Schlichting, I. | | Deposit date: | 2016-02-02 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Engineering extrinsic disorder to control protein activity in living cells.
Science, 354, 2016
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8CAG
 | | Hypoxanthine-guanine phosphoribosyltransferase from E. coli | | Descriptor: | Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Hypoxanthine-guanine phosphoribosyltransferase from E. coli
To Be Published
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6E0W
 | | Crystal structure of the colanidase tailspike protein gp150 of Phage Phi92 complexed with one repeating unit of colanic acid | | Descriptor: | 1,2-ETHANEDIOL, 1,5-anhydro-4,6-O-[(1R)-1-carboxyethylidene]-D-galactitol, Bacteriophage Phi92 gp150, ... | | Authors: | Plattner, M, Browning, C, Gerardy-Schahn, R, Shneider, M.M, Leiman, P.G, Schwarzer, D. | | Deposit date: | 2018-07-07 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Crystal structure of the colanidase tailspike protein gp150 of Phage Phi92 complexed with one repeating unit of colanic acid
To Be Published
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2RBX
 | | Cytochrome C Peroxidase W191G in complex with pyrimidine-2,4,6-triamine. | | Descriptor: | Cytochrome C Peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Graves, A.P, Boyce, S.E, Shoichet, B.K. | | Deposit date: | 2007-09-19 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
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3RT4
 | | Structural Basis of Recognition of Pathogen-associated Molecular Patterns and Inhibition of Proinflammatory Cytokines by Camel Peptidoglycan Recognition Protein | | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, L(+)-TARTARIC ACID, Peptidoglycan recognition protein 1 | | Authors: | Sharma, P, Dube, D, Singh, A, Mishra, B, Singh, N, Sinha, M, Dey, S, Kaur, P, Mitra, D.K, Sharma, S, Singh, T.P. | | Deposit date: | 2011-05-03 | | Release date: | 2011-06-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis of Recognition of Pathogen-associated Molecular Patterns and Inhibition of Proinflammatory Cytokines by Camel Peptidoglycan Recognition Protein.
J.Biol.Chem., 286, 2011
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4KX6
 | | Plasticity of the quinone-binding site of the complex II homolog quinol:fumarate reductase | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Singh, P.K, Sarwar, M, Maklashina, E, Kotlyar, V, Rajagukguk, S, Tomasiak, T.M, Cecchini, G, Iverson, T.M. | | Deposit date: | 2013-05-24 | | Release date: | 2013-07-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Plasticity of the Quinone-binding Site of the Complex II Homolog Quinol:Fumarate Reductase.
J.Biol.Chem., 288, 2013
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5I3H
 | | Structure-Function Studies on Role of Hydrophobic Clamping of a Basic Glutamate in Catalysis by Triosephosphate Isomerase | | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, POTASSIUM ION, Triosephosphate isomerase, ... | | Authors: | Drake, E.J, Gulick, A.M, Richard, J.P, Zhai, X, Kim, K, Reinhardt, C.J. | | Deposit date: | 2016-02-10 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure-Function Studies of Hydrophobic Residues That Clamp a Basic Glutamate Side Chain during Catalysis by Triosephosphate Isomerase.
Biochemistry, 55, 2016
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7DOC
 | | Crystal structure of Zika NS2B-NS3 protease with compound 5 | | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Core protein, Genome polyprotein, ... | | Authors: | Quek, J.P. | | Deposit date: | 2020-12-14 | | Release date: | 2021-04-14 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | 2-Cyanoisonicotinamide Conjugation: A Facile Approach to Generate Potent Peptide Inhibitors of the Zika Virus Protease.
Acs Med.Chem.Lett., 12, 2021
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5BTT
 | | Switching GFP fluorescence using genetically encoded phenyl azide chemistry through two different non-native post-translational modifications routes at the same position. | | Descriptor: | GLYCEROL, Green fluorescent protein, SULFATE ION | | Authors: | Hartley, A.M, Worthy, H.L, Reddington, S.C, Rizkallah, P.J, Jones, D.D. | | Deposit date: | 2015-06-03 | | Release date: | 2016-07-13 | | Last modified: | 2017-05-10 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Molecular basis for functional switching of GFP by two disparate non-native post-translational modifications of a phenyl azide reaction handle.
Chem Sci, 7, 2016
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8CIU
 | | The FERM domain of human moesin mutant H288A | | Descriptor: | Moesin | | Authors: | Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-02-10 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.393 Å) | | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
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8CIT
 | | The FERM domain of human moesin mutant L281R | | Descriptor: | Moesin | | Authors: | Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E. | | Deposit date: | 2023-02-10 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.536 Å) | | Cite: | Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
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4CV3
 | | Crystal structure of E. coli FabI in complex with NADH and PT166 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | | Authors: | Eltschkner, S, Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2014-03-22 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
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3IYV
 | | Clathrin D6 coat as full-length Triskelions | | Descriptor: | Clathrin heavy chain, Clathrin light chain A | | Authors: | Johnson, G.T, Fotin, A, Cheng, Y, Sliz, P, Grigorieff, N, Harrison, S.C, Kirchhausen, T, Walz, T. | | Deposit date: | 2010-06-17 | | Release date: | 2010-07-21 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (7.9 Å) | | Cite: | Molecular model for a complete clathrin lattice from electron cryomicroscopy.
Nature, 432, 2004
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8BXU
 | | Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with MPD (2-Methyl-2,4-pentanediol) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-ETHOXYETHANOL, Odorant binding protein, ... | | Authors: | Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E. | | Deposit date: | 2022-12-09 | | Release date: | 2023-03-22 | | Last modified: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies.
Int.J.Biol.Macromol., 237, 2023
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8BXV
 | | Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with Thymol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-METHYL-2-(1-METHYLETHYL)PHENOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E. | | Deposit date: | 2022-12-10 | | Release date: | 2023-03-22 | | Last modified: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies.
Int.J.Biol.Macromol., 237, 2023
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8BXW
 | | Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with Carvacrol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-BUTANOL, 2-methyl-5-propan-2-yl-phenol, ... | | Authors: | Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E. | | Deposit date: | 2022-12-10 | | Release date: | 2023-03-22 | | Last modified: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies.
Int.J.Biol.Macromol., 237, 2023
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1WL0
 | | Crystal Structure Of Octaprenyl Pyrophosphate Synthase From Hyperthermophilic Thermotoga Maritima R44A mutant | | Descriptor: | SULFATE ION, octoprenyl-diphosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Cheng, Y.S, Cheng, Y.L, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2004-06-18 | | Release date: | 2005-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Biochemical and Structural Basis for Octaprenyl Pyrophosphate Synthase
To be Published
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3IA3
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