4E3L
 
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6TCZ
 | | Leishmania tarentolae proteasome 20S subunit complexed with LXE408 | | Descriptor: | Proteasome endopeptidase complex, Proteasome subunit alpha type, Proteasome subunit beta, ... | | Authors: | Srinivas, H. | | Deposit date: | 2019-11-07 | | Release date: | 2020-08-26 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
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6TD5
 | | Leishmania tarentolae proteasome 20S subunit complexed with LXE408 and bortezomib | | Descriptor: | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome endopeptidase complex, Proteasome subunit alpha type, ... | | Authors: | Srinivas, H. | | Deposit date: | 2019-11-07 | | Release date: | 2020-08-26 | | Last modified: | 2020-10-21 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases.
J.Med.Chem., 63, 2020
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2YDL
 | | Crystal structure of SH3C from CIN85 | | Descriptor: | SH3 DOMAIN-CONTAINING KINASE-BINDING PROTEIN 1 | | Authors: | Bravo, J, Cardenes, N. | | Deposit date: | 2011-03-22 | | Release date: | 2012-03-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Distinct Ubiquitin Binding Modes Exhibited by SH3 Domains: Molecular Determinants and Functional Implications.
Plos One, 8, 2013
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3B5K
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1NRK
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1CX5
 | | ANTISENSE DNA/RNA HYBRID CONTAINING MODIFIED BACKBONE | | Descriptor: | 5'-D(*CP*GP*CP*GP*TP*T*(MMT)P*TP*GP*CP*GP*C), 5'-R(*GP*CP*GP*CP*AP*AP*AP*AP*CP*GP*CP*G) | | Authors: | Yang, X, Han, X, Cross, C, Sanghvi, Y, Gao, X. | | Deposit date: | 1999-08-28 | | Release date: | 1999-09-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of an antisense DNA.RNA hybrid duplex containing a 3'-CH(2)N(CH(3))-O-5' or an MMI backbone linker.
Biochemistry, 38, 1999
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1LB0
 | | NMR Structure of HIV-1 gp41 659-671 13-mer peptide | | Descriptor: | GP41 | | Authors: | Biron, Z. | | Deposit date: | 2002-04-01 | | Release date: | 2002-12-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | A Monomeric 3(10)-Helix Is Formed in Water by a 13-Residue Peptide
Representing the Neutralizing Determinant of HIV-1 on gp41(,).
Biochemistry, 41, 2002
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1MW5
 | | Structure of HI1480 from Haemophilus influenzae | | Descriptor: | HYPOTHETICAL PROTEIN HI1480 | | Authors: | Lim, K, Sarikaya, E, Howard, A, Galkin, A, Herzberg, O, Structure 2 Function Project (S2F) | | Deposit date: | 2002-09-27 | | Release date: | 2003-11-18 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel structure and nucleotide binding properties of HI1480 from Haemophilus influenzae: a protein with no known sequence homologues
PROTEINS: STRUCT.,FUNCT.,GENET., 56, 2004
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2MCN
 | | Distinct ubiquitin binding modes exhibited by SH3 domains: molecular determinants and functional implications | | Descriptor: | CD2-associated protein, Ubiquitin | | Authors: | Ortega-Roldan, J, Salmon, L, Azuaga, A, Blackledge, M, Van Nuland, N. | | Deposit date: | 2013-08-22 | | Release date: | 2014-02-05 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Distinct ubiquitin binding modes exhibited by SH3 domains: molecular determinants and functional implications.
Plos One, 8, 2013
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2WTP
 | | Crystal Structure of Cu-form Czce from C. metallidurans CH34 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Haertlein, I, Girard, E, Sarret, G, Hazemann, J, Gourhant, P, Kahn, R, Coves, J. | | Deposit date: | 2009-09-18 | | Release date: | 2010-08-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Evidence for Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce.
Biochemistry, 49, 2010
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2WTO
 | | Crystal Structure of Apo-form Czce from C. metallidurans CH34 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, ORF131 PROTEIN | | Authors: | Haertlein, I, Girard, E, Sarret, G, Hazemann, J, Gourhant, P, Kahn, R, Coves, J. | | Deposit date: | 2009-09-18 | | Release date: | 2010-08-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Evidence for Conformational Changes Upon Copper Binding to Cupriavidus Metallidurans Czce.
Biochemistry, 49, 2010
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2Y3B
 | | Co-bound form of Cupriavidus metallidurans CH34 CnrXs | | Descriptor: | COBALT (II) ION, GLYCEROL, NICKEL AND COBALT RESISTANCE PROTEIN CNRR | | Authors: | Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. | | Deposit date: | 2010-12-20 | | Release date: | 2011-03-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.554 Å) | | Cite: | Structural Basis for Metal Sensing by Cnrx.
J.Mol.Biol., 408, 2011
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2Y3G
 | | Se-Met form of Cupriavidus metallidurans CH34 CnrXs | | Descriptor: | CHLORIDE ION, GLYCEROL, NICKEL AND COBALT RESISTANCE PROTEIN CNRR, ... | | Authors: | Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. | | Deposit date: | 2010-12-20 | | Release date: | 2011-03-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural Basis for Metal Sensing by Cnrx.
J.Mol.Biol., 408, 2011
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2Y3D
 | | Zn-bound form of Cupriavidus metallidurans CH34 CnrXs | | Descriptor: | CHLORIDE ION, NICKEL AND COBALT RESISTANCE PROTEIN CNRR, ZINC ION | | Authors: | Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. | | Deposit date: | 2010-12-20 | | Release date: | 2011-03-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Metal Sensing by Cnrx.
J.Mol.Biol., 408, 2011
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2PHB
 | | An Orally Efficacious Factor Xa Inhibitor | | Descriptor: | (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, Coagulation factor X, ... | | Authors: | Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C. | | Deposit date: | 2007-04-10 | | Release date: | 2008-03-25 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The discovery of (2R,4R)-N-(4-chlorophenyl)-N- (2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide (PD 0348292), an orally efficacious factor Xa inhibitor
Chem.Biol.Drug Des., 70, 2007
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2PR3
 | | Factor XA inhibitor | | Descriptor: | (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | | Authors: | Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C. | | Deposit date: | 2007-05-03 | | Release date: | 2007-08-14 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based drug design of pyrrolidine-1, 2-dicarboxamides as a novel series of orally bioavailable factor Xa inhibitors
Chem.Biol.Drug Des., 69, 2007
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2Y3H
 | | E63Q mutant of Cupriavidus metallidurans CH34 CnrXs | | Descriptor: | GLYCEROL, NICKEL AND COBALT RESISTANCE PROTEIN CNRR | | Authors: | Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J. | | Deposit date: | 2010-12-20 | | Release date: | 2011-03-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Structural Basis for Metal Sensing by Cnrx.
J.Mol.Biol., 408, 2011
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2LZ6
 | | Distinct ubiquitin binding modes exhibited by sh3 domains: molecular determinants and functional implications | | Descriptor: | CD2-associated protein, Ubiquitin | | Authors: | Ortega-Roldan, J, Azuaga, A, Blackledge, M, Van Nuland, N. | | Deposit date: | 2012-09-24 | | Release date: | 2013-10-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Distinct Ubiquitin Binding Modes Exhibited by SH3 Domains: Molecular Determinants and Functional Implications.
Plos One, 8, 2013
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1BVT
 | | METALLO-BETA-LACTAMASE FROM BACILLUS CEREUS 569/H/9 | | Descriptor: | BICARBONATE ION, PROTEIN (BETA-LACTAMASE), ZINC ION | | Authors: | Carfi, A, Duee, E, Dideberg, O. | | Deposit date: | 1998-09-18 | | Release date: | 1998-09-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1.85 A resolution structure of the zinc (II) beta-lactamase from Bacillus cereus.
Acta Crystallogr.,Sect.D, 54, 1998
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4JM9
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-amino-1-methylpyridinium | | Descriptor: | 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, Cytochrome c peroxidase, IODIDE ION, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-13 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JM6
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine | | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-13 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JM8
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,6-diaminopyridine | | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-13 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JMA
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-Fluorocatechol | | Descriptor: | 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-13 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JMW
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