4UD6
 
 | | Structure of methylviologen-treated anaerobically purified D. fructosovorans NiFe-hydrogenase | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A, Martin, L, Liebgott, P.-P, Fontecilla-Camps, J.C. | | Deposit date: | 2014-12-08 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | [NiFe]-hydrogenases revisited: nickel-carboxamido bond formation in a variant with accrued O2-tolerance and a tentative re-interpretation of Ni-SI states.
Metallomics, 7, 2015
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4UEQ
 | | Structure of the V74C large subunit mutant of D. fructosovorans NiFe- hydrogenase | | Descriptor: | CALCIUM ION, CARBONATE ION, CARBONMONOXIDE-(DICYANO) IRON, ... | | Authors: | Volbeda, A, Martin, L, Liebgott, P.-P, Fontecilla-Camps, J.C. | | Deposit date: | 2014-12-18 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | [NiFe]-hydrogenases revisited: nickel-carboxamido bond formation in a variant with accrued O2-tolerance and a tentative re-interpretation of Ni-SI states.
Metallomics, 7, 2015
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4UEW
 | | Structure of H2-treated anaerobically purified D. fructosovorans NiFe- hydrogenase | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ... | | Authors: | Volbeda, A, Martin, L, Liebgott, P.-P, Fontecilla-Camps, J.C. | | Deposit date: | 2014-12-20 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | [NiFe]-hydrogenases revisited: nickel-carboxamido bond formation in a variant with accrued O2-tolerance and a tentative re-interpretation of Ni-SI states.
Metallomics, 7, 2015
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4UVI
 | | Discovery of pyrimidine isoxazoles InhA in complex with compound 23 | | Descriptor: | 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(2-methylpyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Ghorpade, S, Cowan, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-09-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Hitting the Target in More Than One Way: Novel, Direct Inhibitors of Mycobacterium Tuberculosis Enoyl Acp Reductase
To be Published
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4V48
 | | Real space refined coordinates of the 30S and 50S subunits fitted into the low resolution cryo-EM map of the initiation-like state of E. coli 70S ribosome | | Descriptor: | 16S RIBOSOMAL RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ... | | Authors: | Gao, H, Sengupta, J, Valle, M, Korostelev, A, Eswar, N, Stagg, S.M, Van Roey, P, Agrawal, R.K, Harvey, S.T, Sali, A, Chapman, M.S, Frank, J. | | Deposit date: | 2003-05-06 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (11.5 Å) | | Cite: | Study of the structural dynamics of the E. coli 70S ribosome using real space refinement
Cell(Cambridge,Mass.), 113, 2003
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4V9R
 | | Crystal structure of antibiotic DITYROMYCIN bound to 70S ribosome | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | | Authors: | Bulkley, D.P, Brandi, L, Polikanov, Y.S, Fabbretti, A, O'Connor, M, Gualerzi, C.O, Steitz, T.A. | | Deposit date: | 2013-12-05 | | Release date: | 2014-07-09 | | Last modified: | 2014-12-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The antibiotics dityromycin and GE82832 bind protein S12 and block EF-G-catalyzed translocation.
Cell Rep, 6, 2014
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6ZAC
 | | PI3K Delta in complex with [(dimethylamino)methyldihydrobenzoxazin2methoxypyridinyl]methanesulfonamide | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide | | Authors: | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | | Deposit date: | 2020-06-05 | | Release date: | 2020-07-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta.
Acs Med.Chem.Lett., 11, 2020
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2XBS
 | | Raman crystallography of Hen White Egg Lysozyme - High X-ray dose (16 MGy) | | Descriptor: | CHLORIDE ION, LYSOZYME C | | Authors: | Carpentier, P, Royant, A, Weik, M, Bourgeois, D. | | Deposit date: | 2010-04-14 | | Release date: | 2010-11-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Raman Assisted Crystallography Reveals a Mechanism of X-Ray Induced Reversible Disulfide Radical Formation
Structure, 18, 2010
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2XD1
 | | ACTIVE SITE RESTRUCTURING REGULATES LIGAND RECOGNITION IN CLASS A PENICILLIN-BINDING PROTEINS | | Descriptor: | CEFOTAXIME, C3' cleaved, open, ... | | Authors: | Macheboeuf, P, Di Guilmi, A.M, Job, V, Vernet, T, Dideberg, O, Dessen, A. | | Deposit date: | 2010-04-28 | | Release date: | 2010-05-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Active Site Restructuring Regulates Ligand Recognition in Class a Penicillin-Binding Proteins.
Proc.Natl.Acad.Sci.USA, 102, 2005
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2XDG
 | | Crystal structure of the extracellular domain of human growth hormone releasing hormone receptor. | | Descriptor: | 1,2-ETHANEDIOL, GROWTH HORMONE-RELEASING HORMONE RECEPTOR, MAGNESIUM ION | | Authors: | Pike, A.C.W, Quigley, A, Barr, A.J, Burgess Brown, N, Shrestha, L, Yang, J, Chaikuad, A, Vollmar, M, Muniz, J.R.C, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Carpenter, E.P. | | Deposit date: | 2010-04-30 | | Release date: | 2010-06-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of the Extracellular Domain of Human Growth Hormone Releasing Hormone Receptor.
To be Published
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8ECE
 | | E. coli L-asparaginase II mutant (V27T) in complex with L-Glu | | Descriptor: | 1,2-ETHANEDIOL, GLUTAMIC ACID, L-asparaginase 2 | | Authors: | Strzelczyk, P, Wlodawer, A, Lubkowski, J. | | Deposit date: | 2022-09-01 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | The E. coli L-asparaginase V27T mutant: structural and functional characterization and comparison with theoretical predictions.
Febs Lett., 596, 2022
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2XH3
 | | extracellular nuclease | | Descriptor: | DI(HYDROXYETHYL)ETHER, SPD1 NUCLEASE | | Authors: | Korczynska, J.E, Turkenburg, J.P, Taylor, E.J. | | Deposit date: | 2010-06-08 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | The Structural Characterization of a Prophage-Encoded Extracellular DNase from Streptococcus Pyogenes.
Nucleic Acids Res., 40, 2012
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2XHF
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5JR8
 | | Disposal of Iron by a Mutant form of Siderocalin NGAL | | Descriptor: | GLYCEROL, Neutrophil gelatinase-associated lipocalin, PHOSPHATE ION | | Authors: | Rupert, P.B, Strong, R.K, Barasch, J, Hollman, M, Deng, R, Hod, E.A, Abergel, R, Allred, B, Xu, K, Darrah, S, Tekabe, Y, Perlstein, A, Bruck, E, Stauber, J, Corbin, K, Buchen, C, Slavkovich, V, Graziano, J, Spitalnik, S, Qiu, A. | | Deposit date: | 2016-05-05 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Disposal of iron by a mutant form of lipocalin 2.
Nat Commun, 7, 2016
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8SNK
 | | Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 mutant (MfmA/D188N) | | Descriptor: | ZINC ION, metformin hydrolase subunit A, metformin hydrolase subunit B | | Authors: | Tassoulas, L.J, Rankin, J.A, Elias, M.H, Wackett, L.P. | | Deposit date: | 2023-04-27 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes.
Proc.Natl.Acad.Sci.USA, 121, 2024
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2XJC
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2XP7
 | | DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION | | Descriptor: | 2-PHENYL-1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1 | | Authors: | Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D. | | Deposit date: | 2010-08-25 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution.
Bioorg.Med.Chem.Lett., 20, 2010
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2XJE
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6KA6
 | | Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 1 | | Descriptor: | (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, GLYCEROL, LYSINE, ... | | Authors: | Zhou, J, Fang, P. | | Deposit date: | 2019-06-21 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.891 Å) | | Cite: | Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
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2XKI
 | | Aquo-met structure of C.lacteus mini-Hb | | Descriptor: | GLYCEROL, NEURAL HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Pesce, A, Nardini, M, Dewilde, S, Capece, L, Marti, M.A, Congia, S, Salter, M.D, Blouin, G.C, Estrin, D.A, Ascenzi, P, Moens, L, Bolognesi, M, Olson, J.S. | | Deposit date: | 2010-07-08 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Ligand Migration in the Apolar Tunnel of Cerebratulus Lacteus Mini-Hemoglobin.
J.Biol.Chem., 286, 2011
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8RDK
 | | Crystal structure of human Haspin (GSG2) kinase bound to MD420 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline, Serine/threonine-protein kinase haspin, ... | | Authors: | Kraemer, A, Defois, M, Giraud, F, Moreau, P, Anizon, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-12-08 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human Haspin (GSG2) kinase bound to MD420
To Be Published
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6KCN
 | | Crystal structure of plasmodium lysyl-tRNA synthetase in complex with a cladosporin derivative 4 | | Descriptor: | 3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)isochromen-1-one, GLYCEROL, LYSINE, ... | | Authors: | Zhou, J, Fang, P. | | Deposit date: | 2019-06-28 | | Release date: | 2020-04-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Atomic Resolution Analyses of Isocoumarin Derivatives for Inhibition of Lysyl-tRNA Synthetase.
Acs Chem.Biol., 15, 2020
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8RU2
 | | Structure of the F-actin barbed end bound by formin mDia1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | | Authors: | Oosterheert, W, Boiero Sanders, M, Funk, J, Prumbaum, D, Raunser, S, Bieling, P. | | Deposit date: | 2024-01-29 | | Release date: | 2024-04-10 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Molecular mechanism of actin filament elongation by formins.
Science, 384, 2024
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2XPX
 | | Crystal structure of BHRF1:Bak BH3 complex | | Descriptor: | 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BHRF1, BCL-2 HOMOLOGOUS ANTAGONIST/KILLER, ... | | Authors: | Kvansakul, M, Huang, D.C.S, Colman, P.M. | | Deposit date: | 2010-08-31 | | Release date: | 2011-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis for Apoptosis Inhibition by Epstein-Barr Virus Bhrf1.
Plos Pathog., 6, 2010
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8R5T
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