1FXO
 
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6PS8
 | | XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin. | | Descriptor: | Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide | | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | | Deposit date: | 2019-07-12 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers.
Iucrj, 6, 2019
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4WPB
 | | Vascular endothelial growth factor in complex with alpha/beta-VEGF-1 | | Descriptor: | Vascular endothelial growth factor A, alpha/beta-VEGF-1 | | Authors: | Kreitler, D.F, Checco, J.W, Gellman, S.H, Forest, K.T. | | Deposit date: | 2014-10-17 | | Release date: | 2015-04-15 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Targeting diverse protein-protein interaction interfaces with alpha / beta-peptides derived from the Z-domain scaffold.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5YDF
 | | Crystal structure of a disease-related gene, hCDC73(1-100) | | Descriptor: | Parafibromin | | Authors: | Sun, W, Kuang, X.L, Liu, Y.P, Tian, L.F, Yan, X.X, Xu, W.Q. | | Deposit date: | 2017-09-13 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Crystal structure of the N-terminal domain of human CDC73 and its implications for the hyperparathyroidism-jaw tumor (HPT-JT) syndrome
Sci Rep, 7, 2017
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6OKK
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3P1J
 | | Crystal structure of human GTPase IMAP family member 2 in the nucleotide-free state | | Descriptor: | GTPase IMAP family member 2, UNKNOWN ATOM OR ION | | Authors: | Shen, L, Tempel, W, Tong, Y, Guan, X, Nedyalkova, L, Wernimont, A.K, Mackenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Andrews, D.W, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-30 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Crystal structure of human GTPase IMAP family member 2 in the nucleotide-free state
to be published
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3B4P
 | | Crystal structure of phenazine biosynthesis protein PhzA/B from Burkholderia cepacia R18194, complex with 2-(cyclohexylamino)benzoic acid | | Descriptor: | 2-(cyclohexylamino)benzoic acid, ACETATE ION, AZIDE ION, ... | | Authors: | Ahuja, E.G, Janning, P, Mentel, M, Graebsch, A, Breinbauer, R, Blankenfeldt, W. | | Deposit date: | 2007-10-24 | | Release date: | 2008-12-30 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
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5AK7
 | | Structure of wt Porphyromonas gingivalis peptidylarginine deiminase | | Descriptor: | 1,2-ETHANEDIOL, ALANINE, ARGININE, ... | | Authors: | Kopec, J, Montgomery, A, Shrestha, L, Kiyani, W, Nowak, R, Burgess-Brown, N, Venables, P.J, Yue, W.W. | | Deposit date: | 2015-03-02 | | Release date: | 2015-07-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase: Implications for Autoimmunity in Rheumatoid Arthritis.
Ann.Rheum.Dis., 75, 2016
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5JQU
 | | Crystal structure of Cytochrome P450 BM3 heme domain G265F/T269V/L272W/L322I/F405M/A406S (WIVS-FM) variant with iron(III) deuteroporphyrin IX bound | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, FE(III) DEUTEROPORPHYRIN IX | | Authors: | Reynolds, E.W, McHenry, M.W, Cannac, F, Gober, J.G, Snow, C.D, Brustad, E.M. | | Deposit date: | 2016-05-05 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.162 Å) | | Cite: | An Evolved Orthogonal Enzyme/Cofactor Pair.
J.Am.Chem.Soc., 138, 2016
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2C90
 | | thrombin inhibitors | | Descriptor: | 1-(4-CHLOROPHENYL)-1H-TETRAZOLE, DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, ... | | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | | Deposit date: | 2005-12-08 | | Release date: | 2006-07-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
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2CFB
 | | Glutamate-1-semialdehyde 2,1-Aminomutase from Thermosynechococcus elongatus | | Descriptor: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE | | Authors: | Schulze, J.O, Schubert, W.-D, Moser, J, Jahn, D, Heinz, D.W. | | Deposit date: | 2006-02-17 | | Release date: | 2006-03-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Evolutionary Relationship between Initial Enzymes of Tetrapyrrole Biosynthesis
J.Mol.Biol., 358, 2006
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2CI8
 | | sh2 domain of human nck1 adaptor protein - uncomplexed | | Descriptor: | CYTOPLASMIC PROTEIN NCK1, PENTAETHYLENE GLYCOL, SULFATE ION | | Authors: | Frese, S, Schubert, W.-D, Findeis, A.C, Marquardt, T, Roske, Y.S, Stradal, T.E.B, Heinz, D.W. | | Deposit date: | 2006-03-17 | | Release date: | 2006-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains.
J.Biol.Chem., 281, 2006
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2CN8
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2CFZ
 | | Crystal structure of SdsA1, an alkylsulfatase from Pseudomonas aeruginosa, in complex with 1-dodecanol | | Descriptor: | 1-DODECANOL, DI(HYDROXYETHYL)ETHER, SDS HYDROLASE SDSA1, ... | | Authors: | Hagelueken, G, Adams, T.M, Wiehlmann, L, Widow, U, Kolmar, H, Tuemmler, B, Heinz, D.W, Schubert, W.-D. | | Deposit date: | 2006-02-26 | | Release date: | 2006-04-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The Crystal Structure of Sdsa1, an Alkylsulfatase from Pseudomonas Aeruginosa, Defines a Third Class of Sulfatases.
Proc.Natl.Acad.Sci.USA, 103, 2006
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1G9R
 | | CRYSTAL STRUCTURE OF GALACTOSYLTRANSFERASE LGTC IN COMPLEX WITH MN AND UDP-2F-GALACTOSE | | Descriptor: | ACETIC ACID, GLYCOSYL TRANSFERASE, MANGANESE (II) ION, ... | | Authors: | Persson, K, Hoa, D.L, Diekelmann, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | Deposit date: | 2000-11-27 | | Release date: | 2001-02-14 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the retaining galactosyltransferase LgtC from Neisseria meningitidis in complex with donor and acceptor sugar analogs.
Nat.Struct.Biol., 8, 2001
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3FR7
 | | ketol-acid reductoisomerase (KARI) in complex with Mg2+ | | Descriptor: | MAGNESIUM ION, Putative ketol-acid reductoisomerase (Os05g0573700 protein) | | Authors: | Guddat, L.W, Leung, E.W.W. | | Deposit date: | 2009-01-08 | | Release date: | 2009-04-14 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Conformational changes in a plant ketol-acid reductoisomerase upon Mg(2+) and NADPH binding as revealed by two crystal structures
J.Mol.Biol., 389, 2009
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1GA8
 | | CRYSTAL STRUCTURE OF GALACOSYLTRANSFERASE LGTC IN COMPLEX WITH DONOR AND ACCEPTOR SUGAR ANALOGS. | | Descriptor: | 4-deoxy-beta-D-xylo-hexopyranose-(1-4)-beta-D-glucopyranose, GALACTOSYL TRANSFERASE LGTC, MANGANESE (II) ION, ... | | Authors: | Persson, K, Ly, H.D, Diekelmann, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J. | | Deposit date: | 2000-11-29 | | Release date: | 2001-02-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the retaining galactosyltransferase LgtC from Neisseria meningitidis in complex with donor and acceptor sugar analogs.
Nat.Struct.Biol., 8, 2001
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2C8Z
 | | thrombin inhibitors | | Descriptor: | 1-(3-CHLOROPHENYL)METHANAMINE, DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, ... | | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | | Deposit date: | 2005-12-08 | | Release date: | 2006-07-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
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2C93
 | | thrombin inhibitors | | Descriptor: | DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE, ... | | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | | Deposit date: | 2005-12-09 | | Release date: | 2006-07-04 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
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5JCL
 | | Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Os09g0567300 protein | | Authors: | Park, A.K, Kim, H.W. | | Deposit date: | 2016-04-15 | | Release date: | 2016-10-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and catalytic mechanism of monodehydroascorbate reductase, MDHAR, from Oryza sativa L. japonica
Sci Rep, 6, 2016
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4WEQ
 | | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc02828 (SmGhrA) from Sinorhizobium meliloti in complex with NADP and sulfate | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Sroka, P, Gasiorowska, O.A, Handing, K.B, Shabalin, I.G, Osinski, T, Hillerich, B.S, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-09-10 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
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7OY8
 | | Cryo-EM structure of the Rhodospirillum rubrum RC-LH1 complex | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, 2-azanyl-5-[(2~{E},6~{E},8~{E},10~{E},12~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione, ... | | Authors: | Qian, P, Croll, T.I, Castro, H.P, Moriarty, N.W, sader, K, Hunter, C.N. | | Deposit date: | 2021-06-23 | | Release date: | 2021-09-22 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structure of the Rhodospirillum rubrum RC-LH1 complex at 2.5 angstrom.
Biochem.J., 478, 2021
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4WJ7
 | | CCM2 PTB domain in complex with KRIT1 NPxY/F3 | | Descriptor: | KRIT1 NPxY/F3, Malcavernin | | Authors: | Fisher, O.S, Liu, W, Zhang, R, Stiegler, A.L, Boggon, T.J. | | Deposit date: | 2014-09-29 | | Release date: | 2014-12-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.753 Å) | | Cite: | Structural Basis for the Disruption of the Cerebral Cavernous Malformations 2 (CCM2) Interaction with Krev Interaction Trapped 1 (KRIT1) by Disease-associated Mutations.
J.Biol.Chem., 290, 2015
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2CIA
 | | human nck2 sh2-domain in complex with a decaphosphopeptide from translocated intimin receptor (tir) of epec | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CYTOPLASMIC PROTEIN NCK2, ISOPROPYL ALCOHOL, ... | | Authors: | Frese, S, Schubert, W.-D, Findeis, A.C, Marquardt, T, Roske, Y.S, Stradal, T.E.B, Heinz, D.W. | | Deposit date: | 2006-03-17 | | Release date: | 2006-04-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains.
J.Biol.Chem., 281, 2006
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5K2C
 | | 1.9 angstrom A2a adenosine receptor structure with sulfur SAD phasing and phase extension using XFEL data | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ... | | Authors: | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-21 | | Last modified: | 2018-11-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
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