1FXO
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6PS8
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![BU of 6ps8 by Molmil](/molmil-images/mine/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
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![BU of 4wpb by Molmil](/molmil-images/mine/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
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![BU of 5ydf by Molmil](/molmil-images/mine/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
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![BU of 3p1j by Molmil](/molmil-images/mine/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
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![BU of 3b4p by Molmil](/molmil-images/mine/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
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![BU of 5ak7 by Molmil](/molmil-images/mine/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
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![BU of 5jqu by Molmil](/molmil-images/mine/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
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![BU of 2c90 by Molmil](/molmil-images/mine/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
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![BU of 2cfb by Molmil](/molmil-images/mine/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
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![BU of 2ci8 by Molmil](/molmil-images/mine/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
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![BU of 2cfz by Molmil](/molmil-images/mine/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
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![BU of 1g9r by Molmil](/molmil-images/mine/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
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![BU of 3fr7 by Molmil](/molmil-images/mine/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
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![BU of 1ga8 by Molmil](/molmil-images/mine/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
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![BU of 2c8z by Molmil](/molmil-images/mine/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
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![BU of 2c93 by Molmil](/molmil-images/mine/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
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![BU of 5jcl by Molmil](/molmil-images/mine/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
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![BU of 4weq by Molmil](/molmil-images/mine/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
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![BU of 7oy8 by Molmil](/molmil-images/mine/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
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![BU of 4wj7 by Molmil](/molmil-images/mine/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
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![BU of 2cia by Molmil](/molmil-images/mine/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
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![BU of 5k2c by Molmil](/molmil-images/mine/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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