7ZZV
 
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5TB6
 | | Structure of bromodomain of CREBBP with a pyrazolo[4,3-c]pyridin fragment | | Descriptor: | 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, CREB-binding protein | | Authors: | Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-11 | | Release date: | 2016-10-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening.
ACS Med Chem Lett, 7, 2016
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6H3F
 | | Staphylopine dehydrogenase in complex with staphylopine and NADP+ | | Descriptor: | (2~{S})-4-[[(2~{R})-3-(1~{H}-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Hajjar, C, Arnoux, P. | | Deposit date: | 2018-07-18 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Control by Metals of Staphylopine Dehydrogenase Activity during Metallophore Biosynthesis.
J.Am.Chem.Soc., 141, 2019
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1JAN
 | | COMPLEX OF PRO-LEU-GLY-HYDROXYLAMINE WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (PHE79 FORM) | | Descriptor: | CALCIUM ION, MATRIX METALLO PROTEINASE-8 (PHE79 FORM), PRO-LEU-GLY-HYDROXYLAMINE INHIBITOR, ... | | Authors: | Reinemer, P, Grams, F, Huber, R, Kleine, T, Schnierer, S, Pieper, M, Tschesche, H, Bode, W. | | Deposit date: | 1996-03-11 | | Release date: | 1996-07-11 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural implications for the role of the N terminus in the 'superactivation' of collagenases. A crystallographic study.
FEBS Lett., 338, 1994
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5WJ9
 | | Human TRPML1 channel structure in agonist-bound open conformation | | Descriptor: | 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, Mucolipin-1 | | Authors: | Schmiege, P, Li, X. | | Deposit date: | 2017-07-21 | | Release date: | 2017-10-18 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Human TRPML1 channel structures in open and closed conformations.
Nature, 550, 2017
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6ETB
 | | Aerobic S262Y mutation of E. coli FLRD core | | Descriptor: | Anaerobic nitric oxide reductase flavorubredoxin, FE (III) ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Borges, P.T, Romao, C.V, Carrondo, M.A, Teixeira, M, Frazao, C. | | Deposit date: | 2017-10-26 | | Release date: | 2018-11-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | A tyrosine mutation in E. coli flavodiiron protein increases radiation sensitivity in the crystal structure
To Be Published
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1JAP
 | | COMPLEX OF PRO-LEU-GLY-HYDROXYLAMINE WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM) | | Descriptor: | CALCIUM ION, MATRIX METALLO PROTEINASE-8 (MET80 FORM), PRO-LEU-GLY-HYDROXYLAMINE, ... | | Authors: | Bode, W, Reinemer, P, Huber, R, Kleine, T, Schnierer, S, Tschesche, H. | | Deposit date: | 1996-03-11 | | Release date: | 1996-07-11 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | The X-ray crystal structure of the catalytic domain of human neutrophil collagenase inhibited by a substrate analogue reveals the essentials for catalysis and specificity.
EMBO J., 13, 1994
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6GZJ
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5WBL
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3FAA
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5EW0
 | | Crystal structure of the metallo-beta-lactamase Sfh-I in complex with the bisthiazolidine inhibitor L-CS319 | | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase, ZINC ION | | Authors: | Hinchliffe, P, Tooke, C.L, Spencer, J. | | Deposit date: | 2015-11-20 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5WL8
 | | Crystal structure of chalcone isomerase engineered from ancestral inference (epR4) | | Descriptor: | Engineered Chalcone Isomerase epR4, FORMIC ACID | | Authors: | Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P. | | Deposit date: | 2017-07-25 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
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5EXI
 | | Crystal structure of M. tuberculosis lipoyl synthase at 2.28 A resolution | | Descriptor: | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, IRON/SULFUR CLUSTER, Lipoyl synthase | | Authors: | McLaughlin, M.I, Lanz, N.D, Goldman, P.J, Lee, K.-H, Booker, S.J, Drennan, C.L. | | Deposit date: | 2015-11-23 | | Release date: | 2016-08-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystallographic snapshots of sulfur insertion by lipoyl synthase.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5EWN
 | | Crystal structure of the human astrovirus 1 capsid protein core domain at 2.6 A resolution | | Descriptor: | CHLORIDE ION, Structural protein | | Authors: | York, R.L, Yousefi, P.A, Bogdanoff, W, Haile, S, Tripathi, S, DuBois, R.M. | | Deposit date: | 2015-11-20 | | Release date: | 2015-12-23 | | Last modified: | 2019-12-11 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Structural, Mechanistic, and Antigenic Characterization of the Human Astrovirus Capsid.
J.Virol., 90, 2015
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5WBH
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6H11
 | | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA028 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | | Deposit date: | 2018-07-10 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.516 Å) | | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA028
To be published
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5EXU
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6ATS
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2UUI
 | | Crystal structure of Human Leukotriene C4 Synthase | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, LEUKOTRIENE C4 SYNTHASE, NICKEL (II) ION, ... | | Authors: | Martinez Molina, D, Wetterholm, A, Kohl, A, McCarthy, A.A, Niegowski, D, Ohlson, E, Hammarberg, T, Eshaghi, S, Haeggstrom, J.Z, Nordlund, P. | | Deposit date: | 2007-03-02 | | Release date: | 2007-07-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Synthesis of Inflammatory Mediators by Human Leukotriene C4 Synthase.
Nature, 448, 2007
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5TH2
 | | Cetuximab Fab in complex with L5Q meditope variant | | Descriptor: | L5Q meditope, PHOSPHATE ION, cetuximab Fab, ... | | Authors: | Bzymek, K.P, Williams, J.C. | | Deposit date: | 2016-09-28 | | Release date: | 2016-10-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Natural and non-natural amino-acid side-chain substitutions: affinity and diffraction studies of meditope-Fab complexes.
Acta Crystallogr F Struct Biol Commun, 72, 2016
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5F48
 | | Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with coenzyme A | | Descriptor: | CHLORIDE ION, COENZYME A, MAGNESIUM ION, ... | | Authors: | Xu, Z, Skarina, T, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-12-03 | | Release date: | 2015-12-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
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6AWE
 | | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile | | Descriptor: | 2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | | Deposit date: | 2017-09-05 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile
To Be Published
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5F7A
 | | Nitrite complex structure of copper nitrite reductase from Alcaligenes faecalis determined at 293 K | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | | Authors: | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | | Deposit date: | 2015-12-07 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
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5EVB
 | | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-CS319 | | Descriptor: | (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Hinchliffe, P, Spencer, J. | | Deposit date: | 2015-11-19 | | Release date: | 2016-06-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6F2D
 | | A FliPQR complex forms the core of the Salmonella type III secretion system export apparatus. | | Descriptor: | Flagellar biosynthetic protein FliP, Flagellar biosynthetic protein FliQ, Flagellar biosynthetic protein FliR | | Authors: | Johnson, S, Kuhlen, L, Abrusci, P, Lea, S.M. | | Deposit date: | 2017-11-24 | | Release date: | 2018-07-04 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of the core of the type III secretion system export apparatus.
Nat. Struct. Mol. Biol., 25, 2018
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