3Q01
 
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4LRR
 | | Ternary complex between E. coli thymidylate synthase, dUMP, and F9 | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate, SULFATE ION, ... | | Authors: | Mangani, S, Pozzi, C, Ferrari, S, Costi, M.P. | | Deposit date: | 2013-07-20 | | Release date: | 2013-11-06 | | Last modified: | 2013-12-11 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | 2'-Deoxyuridine 5'-Monophosphate Substrate Displacement in Thymidylate Synthase through 6-Hydroxy-2H-naphtho[1,8-bc]furan-2-one Derivatives.
J.Med.Chem., 56, 2013
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2L6T
 | | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | | Descriptor: | VIR-576 | | Authors: | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Can les-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Staendker, L, Kirchhoff, F, Schmidt, R.E. | | Deposit date: | 2010-11-24 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
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2MB9
 | | Human Bcl10 CARD | | Descriptor: | B-cell lymphoma/leukemia 10 | | Authors: | Zheng, C, Bracken, C, Wu, H. | | Deposit date: | 2013-07-26 | | Release date: | 2013-10-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Architecture of the CARMA1/Bcl10/MALT1 Signalosome: Nucleation-Induced Filamentous Assembly.
Mol.Cell, 51, 2013
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2W15
 | | High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | | Descriptor: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, GLYCEROL, ZINC ION, ... | | Authors: | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | | Deposit date: | 2008-10-14 | | Release date: | 2009-06-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding.
Biochemistry, 48, 2009
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2W13
 | | High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | | Descriptor: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, ACETATE ION, GLYCEROL, ... | | Authors: | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | | Deposit date: | 2008-10-14 | | Release date: | 2009-06-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding.
Biochemistry, 48, 2009
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3T0H
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3T0Z
 | | Hsp90 N-terminal domain bound to ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION | | Authors: | Li, J. | | Deposit date: | 2011-07-21 | | Release date: | 2012-01-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.192 Å) | | Cite: | Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90.
Acta Biochim Biophys Sin (Shanghai), 44, 2012
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2KIK
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3T10
 | | HSP90 N-terminal domain bound to ACP | | Descriptor: | Heat shock protein HSP 90-alpha, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Li, J. | | Deposit date: | 2011-07-21 | | Release date: | 2012-01-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90.
Acta Biochim Biophys Sin (Shanghai), 44, 2012
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7JNI
 | | Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FORMIC ACID, HEXANE-1,6-DIOL, ... | | Authors: | Cherezov, V, Shaye, H, Han, G.W. | | Deposit date: | 2020-08-04 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Inhibition of the angiotensin II type 2 receptor AT 2 R is a novel therapeutic strategy for glioblastoma.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4PPM
 | | Crystal structure of PigE: a transaminase involved in the biosynthesis of 2-methyl-3-n-amyl-pyrrole (MAP) from Serratia sp. FS14 | | Descriptor: | Aminotransferase, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Lou, X.D, Ran, T.T, Xu, D.Q, Wang, W.W. | | Deposit date: | 2014-02-27 | | Release date: | 2015-01-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the catalytic domain of PigE: a transaminase involved in the biosynthesis of 2-methyl-3-n-amyl-pyrrole (MAP) from Serratia sp. FS14
Biochem.Biophys.Res.Commun., 447, 2014
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3BKD
 | | High resolution Crystal structure of Transmembrane domain of M2 protein | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Transmembrane Domain of Matrix protein M2, ... | | Authors: | Stouffer, A.L, Acharya, R, Salom, D. | | Deposit date: | 2007-12-06 | | Release date: | 2008-01-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for the function and inhibition of an influenza virus proton channel
Nature, 451, 2008
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3CZR
 | | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Arylsulfonylpiperazine Inhibitor | | Descriptor: | (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase isozyme 1, ... | | Authors: | Wang, Z, Sudom, A, Walker, N.P. | | Deposit date: | 2008-04-29 | | Release date: | 2008-06-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 18, 2008
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1PU4
 | | Crystal structure of human vascular adhesion protein-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Salminen, T.A, Airenne, T.T. | | Deposit date: | 2003-06-24 | | Release date: | 2005-05-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the human vascular adhesion protein-1: unique structural features with functional implications.
Protein Sci., 14, 2005
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2N0X
 | | Three dimensional structure of EPI-X4, a human albumin-derived peptide that regulates innate immunity through the CXCR4/CXCL12 chemotactic axis and antagonizes HIV-1 entry | | Descriptor: | Serum albumin | | Authors: | Perez-Castells, J, Canales, A, Jimenez-Barbero, J, Gimenez-Gallego, G. | | Deposit date: | 2015-03-18 | | Release date: | 2015-04-29 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Discovery and characterization of an endogenous CXCR4 antagonist.
Cell Rep, 11, 2015
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1UMR
 | | Crystal structure of the platelet activator convulxin, a disulfide linked a4b4 cyclic tetramer from the venom of Crotalus durissus terrificus | | Descriptor: | CONVULXIN ALPHA, CONVULXIN BETA | | Authors: | Murakami, M.T, Zela, S.P, Gava, L.M, Michelan-Duarte, S, Cintra, A.C.O, Arni, R.K. | | Deposit date: | 2003-08-28 | | Release date: | 2003-11-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the Platelet Activator Convulxin, a Disulfide Linked A4B4 Cyclic Tetramer from the Venom of Crotalus Durissus Terrificus
Biochem.Biophys.Res.Commun., 310, 2003
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1UMV
 | | Crystal structure of an acidic, non-myotoxic phospholipase A2 from the venom of Bothrops jararacussu | | Descriptor: | CALCIUM ION, HYPOTENSIVE PHOSPHOLIPASE A2 | | Authors: | Murakami, M.T, Watanabe, L, Cintra, A.C.O, Arni, R.K. | | Deposit date: | 2003-08-28 | | Release date: | 2003-09-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystal Structure of an Acidic Platelet Aggregation Inhibitor and Hypotensive Phospholipase A(2) in the Monomeric and Dimeric States: Insights Into its Oligomeric State
Biochem.Biophys.Res.Commun., 323, 2004
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1US1
 | | Crystal structure of human vascular adhesion protein-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Airenne, T.T, Nymalm, Y, Kidron, H, Soderholm, A, Johnson, M.S, Salminen, T.A. | | Deposit date: | 2003-11-17 | | Release date: | 2005-02-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structure of the Human Vascular Adhesion Protein-1: Unique Structural Features with Functional Implications.
Protein Sci., 14, 2005
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4DXW
 | | Crystal structure of NavRh, a voltage-gated sodium channel | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ... | | Authors: | Zhang, X, Ren, W.L, Yan, C.Y, Wang, J.W, Yan, N. | | Deposit date: | 2012-02-28 | | Release date: | 2012-05-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.052 Å) | | Cite: | Crystal structure of an orthologue of the NaChBac voltage-gated sodium channel
Nature, 486, 2012
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4GMX
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3SL0
 | | Crystal Structure of P. falciparum arginase complexed with 2-amino-6-borono-2-(difluoromethyl)hexanoic acid | | Descriptor: | 2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine, Arginase, MANGANESE (II) ION | | Authors: | Dowling, D.P, Ilies, M, Christianson, D.W. | | Deposit date: | 2011-06-23 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Binding of alpha , alpha-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
J.Med.Chem., 54, 2011
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3SL1
 | | Crystal Structure of P. falciparum arginase complexed with 2-amino-6-borono-2-methylhexanoic acid | | Descriptor: | 6-(dihydroxyboranyl)-2-methyl-L-norleucine, Arginase, MANGANESE (II) ION | | Authors: | Dowling, D.P, Ilies, M, Christianson, D.W. | | Deposit date: | 2011-06-23 | | Release date: | 2011-07-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Binding of alpha , alpha-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
J.Med.Chem., 54, 2011
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6B8U
 | | Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor | | Descriptor: | Serine/threonine-protein kinase B-raf, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | | Authors: | Appleton, B.A, Murray, J, Shafer, C.M. | | Deposit date: | 2017-10-09 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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3U1R
 | | Structure Analysis of A New Psychrophilic Marine Protease | | Descriptor: | Alkaline metalloprotease, CALCIUM ION, ZINC ION | | Authors: | Zhang, S.-C, Sun, M, Tang, L, Wang, Q.-H, Hao, J.-H, Han, Y, Hu, X.-J, Zhou, M, Lin, S.-X. | | Deposit date: | 2011-09-30 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure analysis of a new psychrophilic marine protease.
Plos One, 6, 2011
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