4G1V
 
 | | X-ray structure of yeast flavohemoglobin | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoglobin, NITRITE ION, ... | | Authors: | El Hammi, E, Warkentin, E, Demmer, U, Baciou, L, Ermler, U. | | Deposit date: | 2012-07-11 | | Release date: | 2012-11-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.098 Å) | | Cite: | Active site analysis of yeast flavohemoglobin based on its structure with a small ligand or econazole.
Febs J., 279, 2012
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1F28
 | | CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE FROM PNEUMOCYSTIS CARINII BOUND TO DUMP AND BW1843U89 | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, THYMIDYLATE SYNTHASE | | Authors: | Anderson, A.C, O'Neil, R.H, Surti, T.S, Stroud, R.M. | | Deposit date: | 2000-05-23 | | Release date: | 2001-06-06 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Approaches to solving the rigid receptor problem by identifying a minimal set of flexible residues during ligand docking.
Chem.Biol., 8, 2001
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5E6X
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3ZYC
 | | DYNAMIN 1 GTPASE GED FUSION DIMER COMPLEXED WITH GMPPCP | | Descriptor: | DYNAMIN-1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Authors: | Chappie, J.S, Mears, J.A, Fang, S, Leonard, M, Schmid, S.L, Milligan, R.A, Hinshaw, J.E, Dyda, F. | | Deposit date: | 2011-08-22 | | Release date: | 2011-10-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Pseudoatomic Model of the Dynamin Polymer Identifies a Hydrolysis-Dependent Powerstroke.
Cell(Cambridge,Mass.), 147, 2011
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5VIN
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5VEC
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1F5P
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2F5X
 | | Structure of periplasmic binding protein BugD | | Descriptor: | ASPARTIC ACID, BugD | | Authors: | Huvent, I, Belrhali, H, Antoine, R, Bompard, C, Jacob-Dubuisson, F, Villeret, V. | | Deposit date: | 2005-11-28 | | Release date: | 2006-01-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal Structure of Bordetella pertussis BugD Solute Receptor Unveils the Basis of Ligand Binding in a New Family of Periplasmic Binding Proteins
J.Mol.Biol., 356, 2006
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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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2ODO
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3SR2
 | | Crystal Structure of Human XLF-XRCC4 Complex | | Descriptor: | DNA repair protein XRCC4, Non-homologous end-joining factor 1 | | Authors: | Hammel, M, Classen, S, Tainer, J.A. | | Deposit date: | 2011-07-06 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.9708 Å) | | Cite: | XRCC4 Protein Interactions with XRCC4-like Factor (XLF) Create an Extended Grooved Scaffold for DNA Ligation and Double Strand Break Repair.
J.Biol.Chem., 286, 2011
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2KF3
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1FTC
 | | Y13C MUTANT OF AZOTOBACTER VINELANDII FDI | | Descriptor: | FE3-S4 CLUSTER, FERREDOXIN, IRON/SULFUR CLUSTER | | Authors: | Kemper, M.A, Lloyd, S.J, Prasad, G.S, Stout, C.D, Fawcett, S, Armstrong, F.A, Burgess, B.K. | | Deposit date: | 1997-01-08 | | Release date: | 1997-04-01 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Y13C Azotobacter vinelandii ferredoxin I. A designed [Fe-S] ligand motif contains a cysteine persulfide.
J.Biol.Chem., 272, 1997
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2KF5
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5L8I
 | | crystal structure of human FABP6 apo-protein | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, Gastrotropin, ... | | Authors: | Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P. | | Deposit date: | 2016-06-08 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
J.Med.Chem., 59, 2016
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5L8N
 | | crystal structure of human FABP6 protein with fragment 1 | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 5,6-dimethyl-1~{H}-benzimidazol-2-amine, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Hendrick, A, Mueller, I, Leonard, P.M, Davenport, R, Mitchell, P. | | Deposit date: | 2016-06-08 | | Release date: | 2016-08-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Identification and Investigation of Novel Binding Fragments in the Fatty Acid Binding Protein 6 (FABP6).
J.Med.Chem., 59, 2016
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6EHO
 | | Dimer of the Sortilin Vps10p domain at low pH | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Thirup, S.S, Quistgaard, E.H, Januliene, D, Andersen, J.L, Nielsen, J.A. | | Deposit date: | 2017-09-14 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Acidic Environment Induces Dimerization and Ligand Binding Site Collapse in the Vps10p Domain of Sortilin.
Structure, 25, 2017
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6M65
 | | Crystal structure of Mycobacterium smegmatis MutT1 in complex with GMPPNP (GDP) | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. | | Deposit date: | 2020-03-13 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
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6M69
 | | Crystal structure of Mycobacterium smegmatis MutT1 in complex with GMPPCP (GDP) | | Descriptor: | 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Hydrolase, ... | | Authors: | Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. | | Deposit date: | 2020-03-13 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
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6M6Y
 | | Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP | | Descriptor: | 1,2-ETHANEDIOL, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Hydrolase, ... | | Authors: | Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. | | Deposit date: | 2020-03-16 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
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6M72
 | | Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGDP | | Descriptor: | 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate), Hydrolase, NUDIX family protein, ... | | Authors: | Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M. | | Deposit date: | 2020-03-16 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
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2LGP
 | | Solution structure of LA45 from LDLR | | Descriptor: | CALCIUM ION, Low-density lipoprotein receptor | | Authors: | Guttman, M, Komives, E.A. | | Deposit date: | 2011-08-01 | | Release date: | 2011-11-30 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | The Structure, Dynamics, and Binding of the LA45 Module Pair of the Low-Density Lipoprotein Receptor Suggest an Important Role for LA4 in Ligand Release.
Biochemistry, 50, 2011
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1GKF
 | | Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ... | | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | | Deposit date: | 2001-08-13 | | Release date: | 2002-01-04 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism
J.Mol.Biol., 313, 2001
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4KWO
 | | tRNA guanine transglycosylase (TGT) in complex with Furanoside-Based lin-Benzoguanine 3 | | Descriptor: | GLYCEROL, Queuine tRNA-ribosyltransferase, ZINC ION, ... | | Authors: | Ehrmann, F.R, Heine, A, Klebe, G. | | Deposit date: | 2013-05-24 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Replacement of Water Molecules in a Phosphate Binding Site by Furanoside-Appended lin-Benzoguanine Ligands of tRNA-Guanine Transglycosylase (TGT).
Chemistry, 21, 2015
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2QUE
 | | Saturation of substrate-binding site using two natural ligands: Crystal structure of a ternary complex of phospholipase A2 with anisic acid and ajmaline at 2.25 A resolution | | Descriptor: | 4-METHOXYBENZOIC ACID, AJMALINE, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Kumar, S, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-08-05 | | Release date: | 2007-08-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Saturation of substrate-binding site using two natural ligands: Crystal structure of a ternary complex of phospholipase A2 with anisic acid and ajmaline at 2.25 A resolution
To be Published
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