6DSI
 
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2G8E
 | | Calpain 1 proteolytic core in complex with SNJ-1715, a cyclic hemiacetal-type inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Calpain-1 catalytic subunit, ... | | Authors: | Cuerrier, D, Moldoveanu, T, Davies, P.L, Campbell, R.L. | | Deposit date: | 2006-03-02 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Calpain Inhibition by alpha-Ketoamide and Cyclic Hemiacetal Inhibitors Revealed by X-ray Crystallography
Biochemistry, 45, 2006
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2G5C
 | | Crystal Structure of Prephenate Dehydrogenase from Aquifex aeolicus | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, prephenate dehydrogenase | | Authors: | Sun, W, Singh, S, Zhang, R, Turnbull, J.L, Christendat, D. | | Deposit date: | 2006-02-22 | | Release date: | 2006-03-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Prephenate Dehydrogenase from Aquifex aeolicus: Insights into the Catalytic Mechanism
J.Biol.Chem., 281, 2006
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6D9H
 | | Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist | | Descriptor: | ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Draper-Joyce, C.J, Khoshouei, M, Thal, D.M, Liang, Y.-L, Nguyen, A.T.N, Furness, S.G.B, Venugopal, H, Baltos, J, Plitzko, J.M, Danev, R, Baumeister, W, May, L.T, Wootten, D, Sexton, P, Glukhova, A, Christopoulos, A. | | Deposit date: | 2018-04-29 | | Release date: | 2018-06-20 | | Last modified: | 2018-07-11 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of the adenosine-bound human adenosine A1receptor-Gicomplex.
Nature, 558, 2018
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4D8Z
 | | Crystal structure of B. anthracis DHPS with compound 24 | | Descriptor: | (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION | | Authors: | Hammoudeh, D, Lee, R.E, White, S.W. | | Deposit date: | 2012-01-11 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012
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6DDW
 | | Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid | | Descriptor: | Dihydrofolate reductase, GLYCEROL, N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid, ... | | Authors: | Hajian, B, Scocchera, E, Wright, D. | | Deposit date: | 2018-05-10 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
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6DG5
 | | Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic complex with IL-2Rb and IL-2Rg | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ... | | Authors: | Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C. | | Deposit date: | 2018-05-16 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.516 Å) | | Cite: | De novo design of potent and selective mimics of IL-2 and IL-15.
Nature, 565, 2019
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4G81
 | | Crystal structure of a hexonate dehydrogenase ortholog (target efi-506402 from salmonella enterica, unliganded structure | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | Authors: | Vetting, M.W, Wichelecki, D, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-07-20 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a hexonate dehydrogenase ortholog (target efi-506402 from salmonella enterica, unliganded structure
To be Published
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2GED
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4D9J
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4G9A
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2G3Y
 | | Crystal structure of the human small GTPase GEM | | Descriptor: | GTP-binding protein GEM, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Ugochukwu, E, Soundararajan, M, Elkins, J, Gileadi, C, Schoch, G, Sobott, F, Fedorov, O, Bray, J, Pantic, N, Berridge, G, Burgess, N, Lee, W.H, Turnbull, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-02-21 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the human small GTPase GEM
To be Published
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6DLD
 | | Crystal structure of IgLON5/NEGR1 heterodimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IgLON family member 5, Neuronal growth regulator 1, ... | | Authors: | Ranaivoson, F.M, Turk, L.S, Ozkan, E, Montelione, G.T, Comoletti, D. | | Deposit date: | 2018-06-01 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of a heterodimer of neuronal cell surface proteins
Structure, 2019
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4CZ8
 | | Structure of the sodium proton antiporter PaNhaP from Pyrococcus abyssii at pH 8. | | Descriptor: | CITRATE ANION, NA+/H+ ANTIPORTER, PUTATIVE, ... | | Authors: | Woehlert, D, Kuhlbrandt, W, Yildiz, O. | | Deposit date: | 2014-04-16 | | Release date: | 2014-12-17 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structure and Substrate Ion Binding in the Sodium/Proton Antiporter Panhap.
Elife, 3, 2014
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6DJH
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ515 | | Descriptor: | 1,2-ETHANEDIOL, 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-25 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.918 Å) | | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
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6DQ2
 | | Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif mutant S60 | | Descriptor: | Beta-lactamase, PHOSPHATE ION | | Authors: | Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G. | | Deposit date: | 2018-06-10 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.158 Å) | | Cite: | Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 2020
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2GF4
 | | Crystal structure of Vng1086c from Halobacterium salinarium (Halobacterium halobium). Northeast Structural Genomics Target HsR14 | | Descriptor: | ACETATE ION, CALCIUM ION, Protein Vng1086c | | Authors: | Benach, J, Zhou, W, Jayaraman, S, Forouhar, F.F, Janjua, H, Xiao, R, Ma, L.-C, Cunningham, K, Wang, D, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-03-21 | | Release date: | 2006-04-18 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of Vng1086c from Halobacterium salinarium (Halobacterium halobium). Northeast Structural Genomics Target HsR14
To be Published
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2GFC
 | | cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 | | Descriptor: | N-OCTANE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | | Authors: | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | | Deposit date: | 2006-03-21 | | Release date: | 2006-05-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Analysis of Protein Kinase A Mutants with Rho-kinase Inhibitor Specificity.
J.Biol.Chem., 281, 2006
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6DJG
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ503 | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-8-sulfoquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-25 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
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6DN4
 | | Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif | | Descriptor: | Beta-lactamase | | Authors: | Monteiro Pedroso, M, Waite, D, Natasa, M, McGeary, R, Guddat, L, Hugenholtz, P, Schenk, G. | | Deposit date: | 2018-06-06 | | Release date: | 2019-06-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse
Protein Cell, 2020
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6DY2
 | | Guinea pig N-acylethanolamine-hydrolyzing acid amidase (NAAA) covalently bound to beta-lactam inhibitor ARN726 | | Descriptor: | (2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | | Deposit date: | 2018-07-01 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.706 Å) | | Cite: | Molecular mechanism of activation of the immunoregulatory amidase NAAA.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6DDP
 | | Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid | | Descriptor: | 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Hajian, B, Wright, D. | | Deposit date: | 2018-05-10 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
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2I36
 | | Crystal structure of trigonal crystal form of ground-state rhodopsin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PALMITIC ACID, Rhodopsin, ... | | Authors: | Stenkamp, R.E, Le Trong, I, Lodowski, D.T, Salom, D, Palczewski, K. | | Deposit date: | 2006-08-17 | | Release date: | 2006-10-17 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Crystal structure of a photoactivated deprotonated intermediate of rhodopsin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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6DE5
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4GJ0
 | | Crystal structure of CD23 lectin domain mutant S252A | | Descriptor: | GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor, SULFATE ION | | Authors: | Yuan, D, Sutton, B.J, Dhaliwal, B. | | Deposit date: | 2012-08-09 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.953 Å) | | Cite: | Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E.
J.Biol.Chem., 288, 2013
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