4D9U
 
 | | Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate | | Descriptor: | Ribosomal protein S6 kinase alpha-3, SODIUM ION, tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate | | Authors: | Serafimova, I.M, Pufall, M.A, Krishnan, S, Duda, K, Cohen, M.S, Maglathlin, R.L, McFarland, J.M, Miller, R.M, Frodin, M, Taunton, J. | | Deposit date: | 2012-01-12 | | Release date: | 2012-04-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles.
Nat.Chem.Biol., 8, 2012
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4CKV
 | | Crystal structure of VEGFR-1 domain 2 in presence of Zn | | Descriptor: | 1,2-ETHANEDIOL, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1, ZINC ION | | 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: | 2014-01-09 | | Release date: | 2015-01-28 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.055 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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3RXS
 | | Crystal structure of Trypsin complexed with (3-methoxyphenyl)methanamine (F04 and A06, cocktail experiment) | | Descriptor: | 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ... | | Authors: | Yamane, J, Yao, M, Zhou, Y, Tanaka, I. | | Deposit date: | 2011-05-10 | | Release date: | 2011-08-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
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5DD3
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4CT0
 | | Crystal Structure of Mouse Cryptochrome1 in Complex with Period2 | | Descriptor: | CHLORIDE ION, CRYPTOCHROME-1, HEXAETHYLENE GLYCOL, ... | | Authors: | Schmalen, I, Rajan Prabu, J, Benda, C, Wolf, E. | | Deposit date: | 2014-03-11 | | Release date: | 2014-06-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Interaction of Circadian Clock Proteins Cry1 and Per2 is Modulated by Zinc Binding and Disulfide Bond Formation.
Cell(Cambridge,Mass.), 157, 2014
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4CI4
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5DGK
 | | SCCmec type IV Cch - active helicase | | Descriptor: | Active helicase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Rice, P.A, Mir-Sanchis, I. | | Deposit date: | 2015-08-27 | | Release date: | 2016-08-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.895 Å) | | Cite: | Staphylococcal SCCmec elements encode an active MCM-like helicase and thus may be replicative.
Nat.Struct.Mol.Biol., 23, 2016
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7QZW
 | | Hm-AMP8 | | Descriptor: | Hm-AMP8 | | Authors: | Grafskaia, E.N, Pavlova, E.R, Latsis, I.A, Malakhova, M.V, Lavrenova, V.N, Ivchenkov, D.V, Bashkirov, P.V, Kot, E.F, Mineev, K.S, Arseniev, A.S, Klinov, D.V, Lazarev, V.N. | | Deposit date: | 2022-02-01 | | Release date: | 2023-02-15 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | The study of the interaction of cationic peptides from a medical leech with blood components as a first step to the systemic use of antimicrobial peptides for therapy of infectious diseases
To Be Published
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4CK8
 | | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-(4-(3,4- dichlorophenyl)piperazin-1-yl)phenylcarbamate (LFD) | | Descriptor: | (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | | Deposit date: | 2013-12-30 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
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3S0A
 | | Apis mellifera OBP14, native apo-protein | | Descriptor: | OBP14 | | Authors: | Spinelli, S, Lagarde, A, Iovinella, I, Tegoni, M, Pelosi, P, Cambillau, C. | | Deposit date: | 2011-05-13 | | Release date: | 2011-11-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystal structure of Apis mellifera OBP14, a C-minus odorant-binding protein, and its complexes with odorant molecules.
Insect Biochem.Mol.Biol., 42, 2012
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4CHL
 | | Human Ethylmalonic Encephalopathy Protein 1 (hETHE1) | | Descriptor: | FE (III) ION, PERSULFIDE DIOXYGENASE ETHE1, MITOCHONDRIAL | | Authors: | Pettinati, I, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2013-12-03 | | Release date: | 2014-12-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Crystal structure of human persulfide dioxygenase: structural basis of ethylmalonic encephalopathy.
Hum. Mol. Genet., 24, 2015
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3S0G
 | | Apis mellifera OBP 14 double mutant Gln44Cys, His97Cys | | Descriptor: | OBP14 | | Authors: | Spinelli, S, Lagarde, A, Iovinella, I, Tegoni, M, Pelosi, P, Cambillau, C. | | Deposit date: | 2011-05-13 | | Release date: | 2011-11-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of Apis mellifera OBP14, a C-minus odorant-binding protein, and its complexes with odorant molecules.
Insect Biochem.Mol.Biol., 42, 2012
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4CKA
 | | STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4- isopropylphenylcarbamate (LFS) | | Descriptor: | (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE | | Authors: | Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I. | | Deposit date: | 2013-12-31 | | Release date: | 2014-07-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
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3S4U
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7QRI
 | | Regulatory domain dimer of tryptophan hydroxylase 2 in complex with L-Phe | | Descriptor: | PHENYLALANINE, Tryptophan 5-hydroxylase 2 | | Authors: | Vedel, I.M, Prestel, A, Harris, P, Peters, G.H.J, Kragelund, B.B. | | Deposit date: | 2022-01-11 | | Release date: | 2023-05-03 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural characterization of human tryptophan hydroxylase 2 reveals that L-Phe is superior to L-Trp as the regulatory domain ligand.
Structure, 31, 2023
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7QP5
 | | Crystal Structure of E. coli FhuF | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Ferric iron reductase protein FhuF | | Authors: | Trindade, I.B, Rollo, F, Matias, P.M, Moe, E, Louro, R.O. | | Deposit date: | 2022-01-03 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The structure of a novel ferredoxin: FhuF, a ferric-siderophore reductase from E. coli K-12 with a novel 2Fe-2S cluster coordination
Biorxiv, 2023
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3RZS
 | | Apis mellifera OBP14 in complex with Ta6Br14 | | Descriptor: | HEXATANTALUM DODECABROMIDE, OBP14 | | Authors: | Spinelli, S, Lagarde, A, Iovinella, I, Tegoni, M, Pelosi, P, Cambillau, C. | | Deposit date: | 2011-05-12 | | Release date: | 2011-11-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structure of Apis mellifera OBP14, a C-minus odorant-binding protein, and its complexes with odorant molecules.
Insect Biochem.Mol.Biol., 42, 2012
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5DD8
 | | The Crystal structure of HucR mutant (HucR-E48Q) from Deinococcus radiodurans | | Descriptor: | CHLORIDE ION, Transcriptional regulator, MarR family | | Authors: | Deochand, D.K, Perera, I.C, Crochet, R.B, Gilbert, N.C, Newcomer, M.E, Grove, A. | | Deposit date: | 2015-08-24 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Histidine switch controlling pH-dependent protein folding and DNA binding in a transcription factor at the core of synthetic network devices.
Mol Biosyst, 12, 2016
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6T7Y
 | | Structure of PCNA bound to cPIP motif of DP2 from P. abyssi | | Descriptor: | DNA polymerase sliding clamp, cPIP motif from the DP2 large subunit of PolD | | Authors: | Madru, C, Raia, P, Hugonneau Beaufet, I, Delarue, M, Carroni, M, Sauguet, L. | | Deposit date: | 2019-10-23 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for the increased processivity of D-family DNA polymerases in complex with PCNA.
Nat Commun, 11, 2020
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7RJ3
 | | Crystal Structure of the Forkhead Associated (FHA) Domain of the Glycogen Accumulation Regulator (GarA) from Mycobacterium tuberculosis | | Descriptor: | DI(HYDROXYETHYL)ETHER, Glycogen accumulation regulator GarA | | Authors: | Minasov, G, Shuvalova, L, Pshenychnyi, S, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-07-20 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Crystal Structure of the Forkhead Associated (FHA) Domain of the Glycogen Accumulation Regulator (GarA) from Mycobacterium tuberculosis.
To Be Published
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7RJJ
 | | Crystal Structure of the Peptidoglycan Binding Domain of the Outer Membrane Protein (OmpA) from Klebsiella pneumoniae with bound D-alanine | | Descriptor: | CHLORIDE ION, D-ALANINE, OmpA family protein | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-07-21 | | Release date: | 2021-07-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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5DGX
 | | 1.73 Angstrom resolution crystal structure of the ABC-ATPase domain (residues 357-609) of lipid A transport protein (msbA) from Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipid A export ATP-binding/permease protein MsbA | | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-08-28 | | Release date: | 2015-09-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | 1.73 Angstrom resolution crystal structure of the ABC-ATPase domain (residues 357-609) of lipid A transport protein (msbA) from Francisella tularensis subsp. tularensis SCHU S4 in complex with ADP
To Be Published
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4D6C
 | | Crystal structure of a family 98 glycoside hydrolase catalytic module (Sp3GH98)(L19 mutant) | | Descriptor: | 1,2-ETHANEDIOL, GLYCOSIDE HYDROLASE | | Authors: | Kwan, D.H, Constantinescu, I, Chapanian, R, Higgins, M.A, Samain, E, Boraston, A.B, Kizhakkedathu, J.N, Withers, S.G. | | Deposit date: | 2014-11-11 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Towards Efficient Enzymes for the Generation of Universal Blood Through Structure-Guided Directed Evolution.
J.Am.Chem.Soc., 137, 2015
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3S8R
 | | Crystal Structures of Glutaryl 7-Aminocephalosporanic Acid Acylase: Insight into Autoproteolytic Activation | | Descriptor: | GLYCEROL, Glutaryl-7-aminocephalosporanic-acid acylase | | Authors: | Kim, J.K, Yang, I.S, Park, S.S, Kim, K.H. | | Deposit date: | 2011-05-30 | | Release date: | 2011-07-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of glutaryl 7-aminocephalosporanic acid acylase: insight into autoproteolytic activation.
Biochemistry, 42, 2003
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4D6Y
 | | Crystal structure of the receiver domain of NtrX from Brucella abortus in complex with beryllofluoride and magnesium | | Descriptor: | BACTERIAL REGULATORY, FIS FAMILY PROTEIN, BERYLLIUM TRIFLUORIDE ION, ... | | Authors: | Otero, L.H, Fernandez, I, Carrica, M.C, Klinke, S, Goldbaum, F.A. | | Deposit date: | 2014-11-18 | | Release date: | 2015-07-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 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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