3N87
 
 | | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 3 | | Descriptor: | (1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | | Deposit date: | 2010-05-27 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
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3ESO
 | | Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,5-dichlorobenzamide | | Descriptor: | 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide, Transthyretin | | Authors: | Connelly, S, Wilson, I.A. | | Deposit date: | 2008-10-06 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
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3ES6
 | | Crystal structure of the novel complex formed between Zinc 2-glycoprotein (ZAG) and Prolactin inducible protein (PIP) from human seminal plasma | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Hassan, M.I, Bilgrami, S, Kumar, V, Singh, N, Yadav, S, Kaur, P, Singh, T.P. | | Deposit date: | 2008-10-04 | | Release date: | 2008-10-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Crystal structure of the novel complex formed between zinc alpha2-glycoprotein (ZAG) and prolactin-inducible protein (PIP) from human seminal plasma
J.Mol.Biol., 384, 2008
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5EHB
 | | A de novo designed hexameric coiled-coil peptide with iodotyrosine | | Descriptor: | pHiosYI | | Authors: | Lizatovic, R, Aurelius, O, Stenstrom, O, Drakenberg, T, Akke, M, Logan, D.T, Andre, I. | | Deposit date: | 2015-10-28 | | Release date: | 2016-06-15 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | A De Novo Designed Coiled-Coil Peptide with a Reversible pH-Induced Oligomerization Switch.
Structure, 24, 2016
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4D78
 | | Cytochrome P450 3A4 bound to an inhibitor | | Descriptor: | CYTOCHROME P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Sevrioukova, I, Poulos, T. | | Deposit date: | 2014-11-21 | | Release date: | 2015-09-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
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6NSB
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3ESN
 | | Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide | | Descriptor: | N-(3,5-dibromo-4-hydroxyphenyl)-2,6-dimethylbenzamide, Transthyretin | | Authors: | Connelly, S, Wilson, I.A. | | Deposit date: | 2008-10-06 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
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6O0V
 | | Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Sterile alpha and TIR motif-containing protein 1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
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4MBO
 | | 1.65 Angstrom Crystal Structure of Serine-rich Repeat Adhesion Glycoprotein (Srr1) from Streptococcus agalactiae | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, CALCIUM ION, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Seo, H.S, Seepersaud, R, Doran, K.S, Iverson, T.M, Sullam, P.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-19 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Characterization of Fibrinogen Binding by Glycoproteins Srr1 and Srr2 of Streptococcus agalactiae.
J.Biol.Chem., 288, 2013
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4CL7
 | | Crystal structure of VEGFR-1 domain 2 in presence of Cobalt | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1 | | Authors: | Gaucher, J.-F, Reille-Seroussi, M, Gagey-Eilstein, N, Broussy, S, Coric, P, Seijo, B, Lascombe, M.-B, Gautier, B, Liu, W.-Q, Huguenot, F, Inguimbert, N, Bouaziz, S, Vidal, M, Broutin, I. | | Deposit date: | 2014-01-13 | | Release date: | 2015-01-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biophysical Studies of the Induced Dimerization of Human Vegf R Receptor 1 Binding Domain by Divalent Metals Competing with Vegf-A
Plos One, 11, 2016
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3EW3
 | | the 1:2 complex between a Nterminal elongated prolactin and the extra cellular domain of the rat prolactin receptor | | Descriptor: | Prolactin, Prolactin receptor | | Authors: | Broutin, I, Jomain, J.B, England, P, Goffin, V. | | Deposit date: | 2008-10-14 | | Release date: | 2009-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystal structure of an affinity-matured prolactin complexed to its dimerized receptor reveals the topology of hormone binding site 2.
J.Biol.Chem., 285, 2010
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3N8N
 | | Crystal structure of 3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with inhibitor 6 | | Descriptor: | (1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid, 3-dehydroquinate dehydratase | | Authors: | Dias, M.V.B, Snee, W.C, Bromfield, K.M, Payne, R, Palaninathan, S.K, Ciulli, A, Howard, N.I, Abell, C, Sacchettini, J.C, Blundell, T.L. | | Deposit date: | 2010-05-28 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
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4D6X
 | | Crystal structure of the receiver domain of NtrX from Brucella abortus | | Descriptor: | BACTERIAL REGULATORY, FIS FAMILY PROTEIN, IMIDAZOLE | | Authors: | Klinke, S, Fernandez, I, Carrica, M.C, Otero, L.H, Goldbaum, F.A. | | Deposit date: | 2014-11-18 | | Release date: | 2015-07-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Snapshots of Conformational Changes Shed Light Into the Ntrx Receiver Domain Signal Transduction Mechanism
J.Mol.Biol., 427, 2015
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5LSR
 | | Carboxysome shell protein CcmP from Synechococcus elongatus PCC 7942 | | Descriptor: | CcmP, THIOCYANATE ION | | Authors: | Larsson, A.M, Hasse, D, Valegard, K, Andersson, I. | | Deposit date: | 2016-09-05 | | Release date: | 2017-04-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of beta-carboxysome shell protein CcmP: ligand binding correlates with the closed or open central pore.
J. Exp. Bot., 68, 2017
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4CLV
 | | Crystal Structure of dodecylphosphocholine-solubilized NccX from Cupriavidus metallidurans 31A | | Descriptor: | NICKEL-COBALT-CADMIUM RESISTANCE PROTEIN NCCX, PHOSPHATE ION, PHOSPHOCHOLINE, ... | | Authors: | Legrand, P, Girard, E, Petit-Hartlein, I, Maillard, A.P, Coves, J. | | Deposit date: | 2014-01-15 | | Release date: | 2014-10-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | The X-Ray Structure of Nccx from Cupriavidus Metallidurans 31A Illustrates Potential Dangers of Detergent Solubilization When Generating and Interpreting Crystal Structures of Membrane Proteins.
J.Biol.Chem., 289, 2014
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5EOJ
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6NSA
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6NSG
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6DL9
 | | Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-Cl-phenyldiketoacid | | Descriptor: | 4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G | | Authors: | Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2018-05-31 | | Release date: | 2018-09-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
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4DE6
 | | Horse spleen apo-ferritin complex with arachidonic acid | | Descriptor: | ARACHIDONIC ACID, CADMIUM ION, Ferritin light chain, ... | | Authors: | Bu, W, Liu, R, Dmochowski, I.J, Loll, P.J, Eckenhoff, R.G. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Ferritin couples iron and fatty acid metabolism.
Faseb J., 26, 2012
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6NSC
 | | Crystal structure of the A/Brisbane/10/2007 (H3N2) influenza virus hemagglutinin G186V/L194P mutant apo form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, N.C, Wilson, I.A. | | Deposit date: | 2019-01-24 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Preventing an Antigenically Disruptive Mutation in Egg-Based H3N2 Seasonal Influenza Vaccines by Mutational Incompatibility.
Cell Host Microbe, 25, 2019
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4DKL
 | | Crystal structure of the mu-opioid receptor bound to a morphinan antagonist | | Descriptor: | CHLORIDE ION, CHOLESTEROL, Mu-type opioid receptor, ... | | Authors: | Manglik, A, Kruse, A.C, Kobilka, T.S, Thian, F.S, Mathiesen, J.M, Sunahara, R.K, Pardo, L, Weis, W.I, Kobilka, B.K, Granier, S. | | Deposit date: | 2012-02-03 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the {mu}-opioid receptor bound to a morphinan antagonist.
Nature, 485, 2012
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6NS9
 | | Crystal structure of the IVR-165 (H3N2) influenza virus hemagglutinin apo form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | Authors: | Wu, N.C, Wilson, I.A. | | Deposit date: | 2019-01-24 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Preventing an Antigenically Disruptive Mutation in Egg-Based H3N2 Seasonal Influenza Vaccines by Mutational Incompatibility.
Cell Host Microbe, 25, 2019
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6NSF
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3NIE
 | | Crystal Structure of PF11_0147 | | Descriptor: | MAP2 kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, MacKenzie, F, Kozieradzki, I, Chau, I, Lew, J, Senisterra, G, Cossar, D, Amani, M, Artz, J.D, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-06-15 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of PF11_0147
To be Published
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