6F2N
 
 | | Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197 | | Descriptor: | (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | Authors: | McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J. | | Deposit date: | 2017-11-24 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.149 Å) | | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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6EZA
 | | Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K mutant | | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Bou-Nader, C, Bregeon, D, Pecqueur, L, Vincent, G, Fontecave, M, Hamdane, D. | | Deposit date: | 2017-11-14 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
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5MF2
 | | Bacteriophage T5 distal tail protein pb9 co-crystallized with Tb-Xo4 | | Descriptor: | CHLORIDE ION, Distal tail protein, TERBIUM(III) ION, ... | | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Lassalle, L, Arnaud, C.-A, Breyton, C, Madern, D, Coquelle, N, Maury, O, Girard, E. | | Deposit date: | 2016-11-17 | | Release date: | 2017-09-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallophore: a versatile lanthanide complex for protein crystallography combining nucleating effects, phasing properties, and luminescence.
Chem Sci, 8, 2017
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1FKM
 | | CRYSTAL STRUCTURE OF THE YPT/RAB-GAP DOMAIN OF GYP1P | | Descriptor: | PROTEIN (GYP1P) | | Authors: | Rak, A, Fedorov, R, Alexandrov, K, Albert, S, Goody, R.S, Gallwitz, D, Scheidig, A.J. | | Deposit date: | 2000-08-09 | | Release date: | 2001-02-09 | | Last modified: | 2022-12-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the GAP domain of Gyp1p: first insights into interaction with Ypt/Rab proteins.
EMBO J., 19, 2000
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2NA2
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6EZB
 | | Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain Q305K mutant | | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, SULFATE ION, ... | | Authors: | Bou-Nader, C, Bregeon, D, Pecqueur, L, Fontecave, M, Hamdane, D. | | Deposit date: | 2017-11-14 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
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2NQG
 | | Calpain 1 proteolytic core inactivated by WR18(S,S), an epoxysuccinyl-type inhibitor. | | Descriptor: | 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE, CALCIUM ION, Calpain-1 catalytic subunit | | Authors: | Cuerrier, D, Davies, P.L, Campbell, R.L, Moldoveanu, T. | | Deposit date: | 2006-10-31 | | Release date: | 2007-01-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Development of Calpain-specific Inactivators by Screening of Positional Scanning Epoxide Libraries
J.Biol.Chem., 282, 2007
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5MJQ
 | | Single-shot pink beam serial crystallography: Phycocyanin (One chip) | | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | | Authors: | Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I. | | Deposit date: | 2016-12-01 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Pink-beam serial crystallography.
Nat Commun, 8, 2017
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5TY4
 | | MicroED structure of a complex between monomeric TGF-b and its receptor, TbRII, at 2.9 A resolution | | Descriptor: | TGF-beta receptor type-2, mmTGF-b2-7m | | Authors: | Weiss, S.C, de la Cruz, M.J, Hattne, J, Shi, D, Reyes, F.E, Callero, G, Gonen, T. | | Deposit date: | 2016-11-18 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.9 Å) | | Cite: | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
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1OWW
 | | Solution structure of the first type III module of human fibronectin determined by 1H, 15N NMR spectroscopy | | Descriptor: | Fibronectin first type III module | | Authors: | Gao, M, Craig, D, Lequin, O, Campbell, I.D, Vogel, V, Schulten, K. | | Deposit date: | 2003-03-31 | | Release date: | 2003-10-07 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure and functional significance of mechanically unfolded fibronectin type III1 intermediates
Proc.Natl.Acad.Sci.USA, 100, 2003
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5U2N
 | | Crystal structure of human NAMPT with A-1326133 | | Descriptor: | N-{4-[1-(2-methylpropanoyl)piperidin-4-yl]phenyl}-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, SULFATE ION | | Authors: | Longenecker, K.L, Raich, D, Korepanova, A.V. | | Deposit date: | 2016-11-30 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery and Characterization of Novel Nonsubstrate and Substrate NAMPT Inhibitors.
Mol. Cancer Ther., 16, 2017
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5MU2
 | | ACC1 Fab fragment in complex with CII583-591 (CG10) | | Descriptor: | ACC1 Fab fragment heavy chain, ACC1 Fab fragment light chain, synthetic peptide containing the CII583-591 epitope of collagen type II | | Authors: | Dobritzsch, D, Holmdahl, R, Ge, C. | | Deposit date: | 2017-01-12 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
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3CPO
 | | Crystal structure of ketosteroid isomerase D40N with bound 2-fluorophenol | | Descriptor: | 2-fluorophenol, Delta(5)-3-ketosteroid isomerase | | Authors: | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G. | | Deposit date: | 2008-03-31 | | Release date: | 2008-09-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole
J.Am.Chem.Soc., 130, 2008
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2NCA
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5MVQ
 | | Crystal structure of an unmodified, self-complementary dodecamer. | | Descriptor: | DNA, MAGNESIUM ION | | Authors: | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | | Deposit date: | 2017-01-17 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.604 Å) | | Cite: | 5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
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5MVU
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1K57
 | | OXA 10 class D beta-lactamase at pH 6.0 | | Descriptor: | BETA LACTAMASE OXA-10, SULFATE ION | | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | | Deposit date: | 2001-10-10 | | Release date: | 2001-11-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
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2MPW
 | | Solution structure of the LysM region of the E. coli Intimin periplasmic domain | | Descriptor: | Intimin | | Authors: | Coles, M, Chaubey, M, Leo, J.C, Linke, D, Schuetz, M.C, Goetz, F, Autenrieth, I.B. | | Deposit date: | 2014-06-05 | | Release date: | 2014-11-12 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Intimin periplasmic domain mediates dimerisation and binding to peptidoglycan.
Mol.Microbiol., 95, 2015
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6EZC
 | | Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K Q305K double mutant | | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | | Authors: | Bou-Nader, C, Bregeon, D, Vincent, G, Fontecave, M, Hamdane, D. | | Deposit date: | 2017-11-14 | | Release date: | 2018-09-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Biochemistry, 57, 2018
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8FE5
 | | Structure of J-PKAc chimera complexed with Aplithianine B | | Descriptor: | 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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1PE7
 | | Thermolysin with bicyclic inhibitor | | Descriptor: | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE, 3-METHYLBUTAN-1-AMINE, CALCIUM ION, ... | | Authors: | Juers, D, Yusuff, N, Bartlett, P.A, Matthews, B.W. | | Deposit date: | 2003-05-21 | | Release date: | 2004-06-08 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Conformational Constraint and Structural Complementarity in Thermolysin Inhibitors: Structures of Enzyme Complexes and Conclusions
To be Published
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5MU0
 | | ACC1 Fab fragment in complex with citrullinated C1 epitope of CII (IA03) | | Descriptor: | IA03 peptide containing the citrullinated C1 epitope of collagen type II,Collagen alpha-1(II) chain,IA03 peptide containing the citrullinated C1 epitope of collagen type II, heavy chain of ACC1 antibody Fab fragment, light chain of ACC1 antibody Fab fragment | | Authors: | Dobritzsch, D, Holmdahl, R, Ge, C. | | Deposit date: | 2017-01-11 | | Release date: | 2017-07-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage.
JCI Insight, 2, 2017
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1K56
 | | OXA 10 class D beta-lactamase at pH 6.5 | | Descriptor: | OXA10 beta-lactamase, SULFATE ION | | Authors: | Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S. | | Deposit date: | 2001-10-10 | | Release date: | 2001-11-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001
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5MVP
 | | Crystal structure of an A-DNA dodecamer containing the GGGCCC motif | | Descriptor: | DNA, POTASSIUM ION | | Authors: | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | | Deposit date: | 2017-01-17 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.606 Å) | | Cite: | 5-Formylcytosine does not change the global structure of DNA.
Nat. Struct. Mol. Biol., 24, 2017
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5MVK
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