6B7D
 
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine | | Descriptor: | 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine, DIMETHYL SULFOXIDE, POTASSIUM ION, ... | | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | | Deposit date: | 2017-10-03 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
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3FB8
 | | KcsA Potassium channel in the open-conductive state with 20 A opening at T112 in the presence of Rb+ ion | | Descriptor: | RUBIDIUM ION, Voltage-gated potassium channel, antibody fab fragment heavy chain, ... | | Authors: | Cuello, L.G, Jogini, V, Cortes, D.M, Perozo, E. | | Deposit date: | 2008-11-18 | | Release date: | 2010-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | KcsA Potassium channel in the open-conductive state
with 20 A opening at T112 in the presence of Rb+ ion
TO BE PUBLISHED
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2VA6
 | | X-ray crystal structure of beta secretase complexed with compound 24 | | Descriptor: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA SECRETASE 1, IODIDE ION | | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | | Deposit date: | 2007-08-30 | | Release date: | 2007-11-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency.
J.Med.Chem., 50, 2007
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3FBY
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2FG4
 | | Structure of Human Ferritin L Chain | | Descriptor: | CADMIUM ION, Ferritin light chain | | Authors: | Wang, Z, Li, C, Ellenburg, M, Ruble, J, Ho, J.X, Carter, D.C. | | Deposit date: | 2005-12-21 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of human ferritin L chain.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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4JCW
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2V2R
 | | Mutant (E53,56,57,60Q and R59M) recombinant horse spleen apoferritin cocrystallized with haemin in basic conditions | | Descriptor: | CADMIUM ION, FERRITIN LIGHT CHAIN, GLYCEROL, ... | | Authors: | De Val, N, Declercq, J.P. | | Deposit date: | 2007-06-06 | | Release date: | 2008-06-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Analysis of Haemin Demetallation by L-Chain Apoferritins
J.Inorg.Biochem., 112, 2012
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2VEI
 | | Structure-based enzyme engineering efforts with an inactive monomeric TIM variant: the importance of a single point mutation for generating an active site with suitable binding properties | | Descriptor: | GLYCOSOMAL TRIOSEPHOSPHATE ISOMERASE, SULFATE ION | | Authors: | Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K. | | Deposit date: | 2007-10-24 | | Release date: | 2008-02-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Structure-Based Protein Engineering Efforts with a Monomeric Tim Variant: The Importance of a Single Point Mutation for Generating an Active Site with Suitable Binding Properties.
Protein Eng.Des.Sel., 21, 2008
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2VJX
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2007-12-14 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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2FJG
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4JEP
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4JFE
 | | Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR | | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | | Authors: | Rizkallah, P.J, Cole, D.K, Madura, F, Sewell, A.K. | | Deposit date: | 2013-02-28 | | Release date: | 2013-05-29 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | T-cell receptor specificity maintained by altered thermodynamics.
J.Biol.Chem., 288, 2013
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3FE7
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4JFW
 | | Crystal structure of a bacterial fucosidase with iminosugar inhibitor (2S,3S,4R,5S)-2-[N-(propylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol | | Descriptor: | (3alpha)-[3-({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene, IMIDAZOLE, SULFATE ION, ... | | Authors: | Wright, D.W, Davies, G.J. | | Deposit date: | 2013-02-28 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
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2FM6
 | | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (native form) | | Descriptor: | GLYCEROL, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | | Deposit date: | 2006-01-07 | | Release date: | 2007-01-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
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2FHA
 | | HUMAN H CHAIN FERRITIN | | Descriptor: | CALCIUM ION, FERRITIN | | Authors: | Hempstead, P.D, Artymiuk, P.J, Harrison, P.M. | | Deposit date: | 1997-03-03 | | Release date: | 1997-09-04 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Comparison of the three-dimensional structures of recombinant human H and horse L ferritins at high resolution.
J.Mol.Biol., 268, 1997
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4Z6W
 | | Structure of H200N variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in complex with 4-nitrocatechol at 1.57 Ang resolution | | Descriptor: | 4-NITROCATECHOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kovaleva, E.G, Lipscomb, J.D. | | Deposit date: | 2015-04-06 | | Release date: | 2015-08-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural Basis for Substrate and Oxygen Activation in Homoprotocatechuate 2,3-Dioxygenase: Roles of Conserved Active Site Histidine 200.
Biochemistry, 54, 2015
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5D0U
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2VCV
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1KQZ
 | | Hevamine Mutant D125A/E127A/Y183F in Complex with Tetra-NAG | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hevamine A | | Authors: | Rozeboom, H.J, Dijkstra, B.W. | | Deposit date: | 2002-01-08 | | Release date: | 2002-01-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Expression and Characterization of Active Site Mutants of Hevamine, a
Chitinase from the Rubber Tree Hevea brasiliensis.
Eur.J.Biochem., 269, 2002
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5DI1
 | | MAP4K4 in complex with an inhibitor | | Descriptor: | 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4 | | Authors: | Liu, S. | | Deposit date: | 2015-08-31 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment.
Acs Med.Chem.Lett., 6, 2015
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3FJM
 | | crystal structure of phosphate bound PEB3 | | Descriptor: | Major antigenic peptide PEB3, PHOSPHATE ION | | Authors: | Min, T, Matte, A, Cygler, M. | | Deposit date: | 2008-12-14 | | Release date: | 2009-03-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Specificity of Campylobacter jejuni adhesin PEB3 for phosphates and structural differences among its ligand complexes.
Biochemistry, 48, 2009
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4JMQ
 | | Crystal structure of pb9: The Dit of bacteriophage T5. | | Descriptor: | Bacteriophage T5 distal tail protein | | Authors: | Flayhan, A, Vellieux, F.M.D, Girard, E, Maury, O, Boulanger, P, Breyton, C. | | Deposit date: | 2013-03-14 | | Release date: | 2013-11-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Crystal Structure of pb9, the Distal Tail Protein of Bacteriophage T5: a Conserved Structural Motif among All Siphophages.
J.Virol., 88, 2014
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2EZA
 | | AMINO TERMINAL DOMAIN OF ENZYME I FROM ESCHERICHIA COLI, NMR, RESTRAINED REGULARIZED MEAN STRUCTURE | | Descriptor: | PHOSPHOTRANSFERASE SYSTEM, ENZYME I | | Authors: | Clore, G.M, Tjandra, N, Garrett, D.S, Gronenborn, A.M. | | Deposit date: | 1997-05-07 | | Release date: | 1997-08-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Defining long range order in NMR structure determination from the dependence of heteronuclear relaxation times on rotational diffusion anisotropy.
Nat.Struct.Biol., 4, 1997
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4ZCV
 | | Structure of calcium-bound regulatory domain of the human ATP-Mg/Pi carrier in the P212121 form | | Descriptor: | CALCIUM ION, Calcium-binding mitochondrial carrier protein SCaMC-1, GLYCEROL, ... | | Authors: | Harborne, S.P.D, Ruprecht, J.J, Kunji, E.R.S. | | Deposit date: | 2015-04-16 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Calcium-induced conformational changes in the regulatory domain of the human mitochondrial ATP-Mg/Pi carrier.
Biochim.Biophys.Acta, 1847, 2015
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