1KFP
 
 | | Solution structure of the antimicrobial 18-residue gomesin | | Descriptor: | GOMESIN | | Authors: | Mandard, N, Bulet, P, Caille, A, Daffre, S, Vovelle, F. | | Deposit date: | 2001-11-22 | | Release date: | 2002-04-10 | | Last modified: | 2019-12-25 | | Method: | SOLUTION NMR | | Cite: | The solution structure of gomesin, an antimicrobial cysteine-rich peptide from the spider.
Eur.J.Biochem., 269, 2002
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4CUZ
 | | Crystal structure of S. aureus FabI in complex with NADPH and PT173 | | Descriptor: | 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one, ENOYL-ACP REDUCTASE MOLECULE ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2014-03-22 | | Release date: | 2014-04-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.1 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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1KH6
 | | Crystal Structure of an RNA Tertiary Domain Essential to HCV IRES-mediated Translation Initiation. | | Descriptor: | JIIIabc | | Authors: | Kieft, J.S, Zhou, K, Grech, A, Jubin, R, Doudna, J.A. | | Deposit date: | 2001-11-29 | | Release date: | 2002-04-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of an RNA tertiary domain essential to HCV IRES-mediated translation initiation.
Nat.Struct.Biol., 9, 2002
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4COE
 | | Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol | | Descriptor: | CHLORIDE ION, PROTEASE, methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M. | | Deposit date: | 2014-01-28 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
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1KLU
 | | Crystal structure of HLA-DR1/TPI(23-37) complexed with staphylococcal enterotoxin C3 variant 3B2 (SEC3-3B2) | | Descriptor: | ENTEROTOXIN TYPE C-3, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, DR ALPHA CHAIN, ... | | Authors: | Sundberg, E.J, Sawicki, M.W, Andersen, P.S, Sidney, J, Sette, A, Mariuzza, R.A. | | Deposit date: | 2001-12-12 | | Release date: | 2002-08-02 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Minor structural changes in a mutated human melanoma antigen correspond to dramatically enhanced stimulation of a CD4+ tumor-infiltrating lymphocyte line.
J.Mol.Biol., 319, 2002
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1KHK
 | | E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) | | Descriptor: | Alkaline Phosphatase, MAGNESIUM ION, ZINC ION | | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C. | | Deposit date: | 2001-11-30 | | Release date: | 2002-03-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
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6D72
 | | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis in complex with calcium ions. | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, MALONATE ION, ... | | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-04-23 | | Release date: | 2018-05-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis in complex with calcium ions.
To Be Published
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1KJT
 | | Crystal Structure of the GABA(A) Receptor Associated Protein, GABARAP | | Descriptor: | GABARAP, NICKEL (II) ION, SODIUM ION | | Authors: | Bavro, V.N, Sola, M, Bracher, A, Kneussel, M, Betz, H, Weissenhorn, W. | | Deposit date: | 2001-12-05 | | Release date: | 2002-04-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the GABA(A)-receptor-associated protein, GABARAP.
EMBO Rep., 3, 2002
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4D2T
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-13 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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1KAB
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1KKM
 | | L.casei HprK/P in complex with B.subtilis P-Ser-HPr | | Descriptor: | CALCIUM ION, HprK protein, PHOSPHATE ION, ... | | Authors: | Fieulaine, S, Morera, S, Poncet, S, Galinier, A, Janin, J, Deutscher, J, Nessler, S. | | Deposit date: | 2001-12-10 | | Release date: | 2002-08-28 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray structure of a bifunctional protein kinase in complex with its protein substrate HPr.
Proc.Natl.Acad.Sci.USA, 99, 2002
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1KRH
 | | X-ray Structure of Benzoate Dioxygenase Reductase | | Descriptor: | Benzoate 1,2-Dioxygenase Reductase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Karlsson, A, Beharry, Z.M, Eby, D.M, Coulter, E.D, Niedle, E.L, Kurtz Jr, D.M, Eklund, H, Ramaswamy, S. | | Deposit date: | 2002-01-09 | | Release date: | 2002-05-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | X-ray crystal structure of benzoate 1,2-dioxygenase reductase from Acinetobacter sp. strain ADP1.
J.Mol.Biol., 318, 2002
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4CQ1
 | | Crystal structure of the neuronal isoform of PTB | | Descriptor: | CHLORIDE ION, POLYPYRIMIDINE TRACT-BINDING PROTEIN 2, ZINC ION | | Authors: | Joshi, A, Buckroyd, A.N, Curry, S. | | Deposit date: | 2014-02-10 | | Release date: | 2014-02-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Solution and Crystal Structures of a C Terminal Fragment of the Neuronal Isoform of the Polypyrimidine Tract Binding Protein (Nptb)
Peerj, 2, 2014
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6DDL
 | | Crystal structure of the single mutant (D52N) of NT5C2-Q523X in the basal state | | Descriptor: | Cytosolic purine 5'-nucleotidase, PHOSPHATE ION | | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | | Deposit date: | 2018-05-10 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
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6DE2
 | | Crystal structure of the double mutant (D52N/L375F) of the full-length NT5C2 in the active state | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cytosolic purine 5'-nucleotidase, ... | | Authors: | Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L. | | Deposit date: | 2018-05-10 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
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4D2P
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-12 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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1KDR
 | | CYTIDINE MONOPHOSPHATE KINASE FROM E.COLI IN COMPLEX WITH ARA-CYTIDINE MONOPHOSPHATE | | Descriptor: | CYTIDYLATE KINASE, CYTOSINE ARABINOSE-5'-PHOSPHATE, SULFATE ION | | Authors: | Bertrand, T, Briozzo, P, Assairi, L, Ofiteru, A, Bucurenci, N, Munier-Lehmann, H, Golinelli-Pimpaneau, B, Barzu, O, Gilles, A.M. | | Deposit date: | 2001-11-13 | | Release date: | 2002-01-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Sugar specificity of bacterial CMP kinases as revealed by crystal structures and mutagenesis of Escherichia coli enzyme.
J.Mol.Biol., 315, 2002
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1KX2
 | | Minimized average structure of a mono-heme ferrocytochrome c from Shewanella putrefaciens | | Descriptor: | HEME C, mono-heme c-type cytochrome ScyA | | Authors: | Bartalesi, I, Bertini, I, Hajieva, P, Rosato, A, Vasos, P.R. | | Deposit date: | 2002-01-30 | | Release date: | 2002-02-13 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a monoheme ferrocytochrome c from Shewanella putrefaciens and structural analysis of sequence-similar proteins: functional implications.
Biochemistry, 41, 2002
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6DIZ
 | | EV-A71 strain 11316 complexed with tryptophan dendrimer MADAL_0385 | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Sun, L, Lee, H, Thibaut, H.J, Rivero-Buceta, E, Martinez-Gualda, B, Delang, L, Leyssen, P, Gago, F, San-Felix, A, Hafenstein, S, Mirabelli, C, Neyts, J. | | Deposit date: | 2018-05-24 | | Release date: | 2019-04-24 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.59 Å) | | Cite: | Viral engagement with host (co-)receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid.
Plos Pathog., 15, 2019
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4DBR
 | | Myosin VI D179Y (MD) pre-powerstroke state | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Pylypenko, O, Sweeney, H.L, Houdusse, A. | | Deposit date: | 2012-01-16 | | Release date: | 2013-01-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mutations in myosin VI that cause a loss of coordination between heads provide insights into the structural changes underlying force generation and the importance of gating
To be Published
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1KG6
 | | Crystal structure of the K142R mutant of E.coli MutY (core fragment) | | Descriptor: | A/G-specific adenine glycosylase, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Gilboa, R, Kilshtein, A, Zharkov, D.O, Kycia, J.H, Gerchman, S.E, Grollman, A.P, Shoham, G. | | Deposit date: | 2001-11-26 | | Release date: | 2002-11-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Analysis of the E.coli MutY DNA glycosylase structure and function by site-directed mutagenesis
To be Published
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1KHL
 | | E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) COMPLEX WITH PHOSPHATE | | Descriptor: | Alkaline Phosphatase, PHOSPHATE ION, ZINC ION | | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C. | | Deposit date: | 2001-11-30 | | Release date: | 2002-03-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase.
J.Mol.Biol., 316, 2002
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6DGI
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1KHE
 | | PEPCK complex with nonhydrolyzable GTP analog, MAD data | | Descriptor: | MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Phosphoenolpyruvate Carboxykinase, ... | | Authors: | Dunten, P, Belunis, C, Crowther, R, Hollfelder, K, Kammlott, U, Levin, W, Michel, H, Ramsey, G.B, Swain, A, Weber, D, Wertheimer, S.J. | | Deposit date: | 2001-11-29 | | Release date: | 2002-02-27 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human cytosolic phosphoenolpyruvate carboxykinase reveals a new GTP-binding site.
J.Mol.Biol., 316, 2002
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1KKP
 | | Crystal Structure of Serine Hydroxymethyltransferase complexed with Serine | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, SERINE, Serine Hydroxymethyltransferase | | Authors: | Trivedi, V, Gupta, A, Jala, V.R, Saravanan, P, Rao, G.S.J, Rao, N.A, Savithri, H.S, Subramanya, H.S. | | Deposit date: | 2001-12-10 | | Release date: | 2002-07-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of binary and ternary complexes of serine hydroxymethyltransferase from Bacillus stearothermophilus: insights into the catalytic mechanism.
J.Biol.Chem., 277, 2002
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