6P1V
 
 | | Pre-catalytic ternary complex of human DNA Polymerase Mu with 1-nt gapped substrate containing undamaged template dG and bound incoming dCMPNPP | | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Kaminski, A.M, Pedersen, L.C, Bebenek, K, Chiruvella, K.K, Ramsden, D.A, Kunkel, T.A. | | Deposit date: | 2019-05-20 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Unexpected behavior of DNA polymerase Mu opposite template 8-oxo-7,8-dihydro-2'-guanosine.
Nucleic Acids Res., 47, 2019
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8Q5X
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8Q5W
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3BF7
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6P6O
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6P3D
 | | The co-crystal structure of BRAF(V600E) with ponatinib | | Descriptor: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, AMMONIUM ION, ... | | Authors: | Agianian, B, Gavathiotis, E. | | Deposit date: | 2019-05-23 | | Release date: | 2020-09-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Inhibitors of BRAF dimers using an allosteric site.
Nat Commun, 11, 2020
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6PFD
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)terephthalic acid. | | Descriptor: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. | | Deposit date: | 2019-06-21 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.324 Å) | | Cite: | Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors.
Eur.J.Med.Chem., 183, 2019
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4K7O
 | | HUMAN PEROXIREDOXIN 5 with a fragment | | Descriptor: | 4-tert-butylbenzene-1,2-diol, DIMETHYL SULFOXIDE, Peroxiredoxin-5, ... | | Authors: | Guichou, J.F. | | Deposit date: | 2013-04-17 | | Release date: | 2014-04-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
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3BF8
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2EXN
 | | Solution structure for the protein coded by gene locus BB0938 of Bordetella bronchiseptica. Northeast Structural Genomics target BoR11. | | Descriptor: | Hypothetical protein BoR11 | | Authors: | Rossi, P, Ramelot, T, Xiao, R, Ho, C.K, Ma, L.-C, Acton, T.B, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-11-08 | | Release date: | 2005-11-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | (1)H, (13)C, and (15)N Resonance Assignments for the Protein Coded by Gene Locus BB0938 of Bordetella bronchiseptica
J.Biomol.NMR, 33, 2005
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9IKP
 | | Crystal structure of human malectin | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Malectin, SULFATE ION | | Authors: | Si, Y.L. | | Deposit date: | 2024-06-28 | | Release date: | 2025-07-02 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | The Structural Basis of Human Malectin Recognition of Ligands
To Be Published
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2Q3B
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6P7Q
 | | Structure of E. coli MS115-1 NucC, 5'-pApA bound form | | Descriptor: | CHLORIDE ION, E. coli MS115-1 NucC, RNA (5'-R(P*AP*A)-3') | | Authors: | Ye, Q, Lau, R.K, Berg, K.R, Corbett, K.D. | | Deposit date: | 2019-06-06 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structure and Mechanism of a Cyclic Trinucleotide-Activated Bacterial Endonuclease Mediating Bacteriophage Immunity.
Mol.Cell, 77, 2020
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8PIR
 | | Crystal structure of Ser33 in complex with 3-PGA (3-phosphoglycerate) | | Descriptor: | 1,4-BUTANEDIOL, 3-PHOSPHOGLYCERIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Perrone, S, Cifuente, J.O, Marina, A, Mastrella, L, Trastoy, B, Linster, C.L, Guerin, M.E. | | Deposit date: | 2023-06-22 | | Release date: | 2025-01-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of Ser33 in complex with 3-PGA (3-phosphoglycerate)
To Be Published
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7L00
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7L1P
 | | HIV Integrase Core domain (IN) in complex with dimer-spanning ligand | | Descriptor: | (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl)amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid, IODIDE ION, Integrase, ... | | Authors: | Gorman, M.A, Parker, M.W. | | Deposit date: | 2020-12-15 | | Release date: | 2021-12-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | HIV Integrase core domain in complex with inhibitor
To Be Published
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6PQQ
 | | Cryo-EM structure of human TRPA1 C621S mutant in the apo state | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Transient receptor potential cation channel subfamily A member 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | Authors: | Suo, Y, Wang, Z, Zubcevic, L, Hsu, A.L, He, Q, Borgnia, M.J, Ji, R.-R, Lee, S.-Y. | | Deposit date: | 2019-07-09 | | Release date: | 2020-01-08 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel.
Neuron, 105, 2020
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3BHK
 | | Crystal structure of R49K mutant of monomeric sarcosine oxidase crystallized in phosphate as precipitant | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Hassan-Abdallah, A, Zhao, G, Chen, Z, Mathews, F.S, Jorns, M.S. | | Deposit date: | 2007-11-28 | | Release date: | 2008-02-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Arginine 49 is a bifunctional residue important in catalysis and biosynthesis of monomeric sarcosine oxidase: a context-sensitive model for the electrostatic impact of arginine to lysine mutations.
Biochemistry, 47, 2008
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6V2T
 | | X-ray structure of a sugar N-formyltransferase from Shewanella sp FDAARGOS_354 | | Descriptor: | 1,2-ETHANEDIOL, FOLIC ACID, PHOSPHATE ION, ... | | Authors: | Girardi, N.M, Thoden, J.B, Holden, H.M. | | Deposit date: | 2019-11-25 | | Release date: | 2020-01-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Misannotations of the genes encoding sugar N-formyltransferases.
Protein Sci., 29, 2020
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6D2I
 | | JAK2 Pseudokinase V617F in complex with AT9283 | | Descriptor: | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, Tyrosine-protein kinase | | Authors: | Li, Q, Li, K, Eck, M.J. | | Deposit date: | 2018-04-13 | | Release date: | 2019-03-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.192 Å) | | Cite: | Discovery and Structural Characterization of ATP-Site Ligands for the Wild-Type and V617F Mutant JAK2 Pseudokinase Domain.
ACS Chem. Biol., 14, 2019
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2PK8
 | | Crystal structure of an uncharacterized protein PF0899 from Pyrococcus furiosus | | Descriptor: | GOLD (I) CYANIDE ION, Uncharacterized protein PF0899 | | Authors: | Liu, Z.J, Tempel, W, Chen, L, Shah, A, Lee, D, Clancy-Kelley, L.L, Dillard, B.D, Rose, J.P, Sugar, F.J, Jenny Jr, F.E, Lee, H.S, Izumi, M, Shah, C, Poole III, F.L, Adams, M.W.W, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2007-04-17 | | Release date: | 2007-05-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure of the hypothetical protein PF0899 from Pyrococcus furiosus at 1.85 A resolution.
Acta Crystallogr.,Sect.F, 63, 2007
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3AX7
 | | Bovine Xanthine Oxidase, protease cleaved form | | Descriptor: | 2-HYDROXYBENZOIC ACID, BICARBONATE ION, CALCIUM ION, ... | | Authors: | Ishikita, H, Eger, B.T, Pai, E.F, Okamoto, K, Nishino, T. | | Deposit date: | 2011-03-30 | | Release date: | 2012-02-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Protein conformational gating of enzymatic activity in xanthine oxidoreductase
J.Am.Chem.Soc., 134, 2012
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3AX9
 | | Bovine xanthine oxidase, protease cleaved form | | Descriptor: | 2-HYDROXYBENZOIC ACID, BICARBONATE ION, CALCIUM ION, ... | | Authors: | Ishikita, H, Eger, B.T, Pai, E.F, Okamoto, K, Nishino, T. | | Deposit date: | 2011-03-31 | | Release date: | 2012-02-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Protein conformational gating of enzymatic activity in xanthine oxidoreductase
J.Am.Chem.Soc., 134, 2012
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5LDW
 | | Structure of mammalian respiratory Complex I, class1 | | Descriptor: | Acyl carrier protein, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Vinothkumar, K.R, Zhu, J, Hirst, J. | | Deposit date: | 2016-06-28 | | Release date: | 2016-09-07 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (4.27 Å) | | Cite: | Structure of mammalian respiratory complex I.
Nature, 536, 2016
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8GVM
 | | The structure of azide-bound cytochrome C oxidase determined using the crystals exposed to 20 mm azide solution for 4 days | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Tsukihara, T, Shimada, A. | | Deposit date: | 2022-09-15 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.851 Å) | | Cite: | X-ray structural analyses of azide-bound cytochromecoxidases reveal that the H-pathway is critically important for the proton-pumping activity
J. Biol. Chem., 293, 2018
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