1II6
| Crystal Structure of the Mitotic Kinesin Eg5 in Complex with Mg-ADP. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-RELATED MOTOR PROTEIN Eg5, MAGNESIUM ION, ... | Authors: | Turner, J, Anderson, R, Guo, J, Beraud, C, Sakowicz, R, Fletterick, R. | Deposit date: | 2001-04-20 | Release date: | 2001-07-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the mitotic spindle kinesin Eg5 reveals a novel conformation of the neck-linker. J.Biol.Chem., 276, 2001
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5UWF
| Crystal structure of human PDE10A in complex with inhibitor 16d | Descriptor: | 9-[(1S)-2,2-difluorocyclopropane-1-carbonyl]-6-[(4-methoxyphenyl)methyl]-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Xu, R, Cedervall, E.P, Sridhar, V, Barker, R, Aertgeerts, K. | Deposit date: | 2017-02-21 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem., 60, 2017
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1XCH
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7FC9
| Crystal structure of CmABCB1 in lipidic mesophase revealed by LCP-SFX | Descriptor: | ACETATE ION, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Pan, D, Oyama, R, Sato, T, Nakane, T, Mizunuma, R, Matsuoka, K, Joti, Y, Tono, K, Nango, E, Iwata, S, Nakatsu, T, Kato, H. | Deposit date: | 2021-07-14 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of CmABCB1 multi-drug exporter in lipidic mesophase revealed by LCP-SFX. Iucrj, 9, 2022
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1NPS
| CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF PROTEIN S | Descriptor: | CALCIUM ION, DEVELOPMENT-SPECIFIC PROTEIN S | Authors: | Wenk, M, Baumgartner, R, Mayer, E.M, Huber, R, Holak, T.A, Jaenicke, R. | Deposit date: | 1999-02-01 | Release date: | 2000-02-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The domains of protein S from Myxococcus xanthus: structure, stability and interactions. J.Mol.Biol., 286, 1999
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1NLY
| Crystal structure of the traffic ATPase of the Helicobacter pylori type IV secretion system in complex with ATPgammaS | Descriptor: | MAGNESIUM ION, NONAETHYLENE GLYCOL, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Savvides, S.N, Yeo, H.J, Beck, M.R, Blaesing, F, Lurz, R, Lanka, E, Buhrdorf, R, Fischer, W, Haas, R, Waksman, G. | Deposit date: | 2003-01-08 | Release date: | 2003-05-06 | Last modified: | 2012-03-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | VirB11 ATPases are dynamic hexameric assemblies: New insights into bacterial type IV secretion Embo J., 22, 2003
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2F9B
| Discovery of Novel Heterocyclic Factor VIIa Inhibitors | Descriptor: | Coagulation factor VII, Tissue factor, {5-(5-AMINO-1H-PYRROLO[3,2-B]PYRIDIN-2-YL)-6-HYDROXY-3'-NITRO-BIPHENYL-3-YL]-ACETIC ACID | Authors: | Rai, R, Kolesnikov, A, Sprengeler, P.A, Torkelson, S, Ton, T, Katz, B.A, Yu, C, Hendrix, J, Shrader, W.D, Stephens, R, Cabuslay, R, Sanford, E, Young, W.B. | Deposit date: | 2005-12-05 | Release date: | 2006-02-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Discovery of novel heterocyclic factor VIIa inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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4QI7
| Cellobiose dehydrogenase from Neurospora crassa, NcCDH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiose dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Tan, T.C, Gandini, R, Sygmund, C, Kittl, R, Haltrich, D, Ludwig, R, Hallberg, B.M, Divne, C. | Deposit date: | 2014-05-30 | Release date: | 2015-07-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for cellobiose dehydrogenase action during oxidative cellulose degradation. Nat Commun, 6, 2015
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4BAD
| Hen egg-white lysozyme structure in complex with the europium tris- hydroxymethyltriazoledipicolinate complex at 1.35 A resolution. | Descriptor: | 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ... | Authors: | Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E. | Deposit date: | 2012-09-13 | Release date: | 2012-11-14 | Last modified: | 2019-03-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination. Chem.Commun.(Camb.), 48, 2012
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5UP0
| Crystal structure of human PDE1B catalytic domain in complex with inhibitor 3 (6-(4-chlorobenzyl)-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one) | Descriptor: | 6-[(4-chlorophenyl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one, Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ... | Authors: | Cedervall, E.P, Allerston, C.K, Xu, R, Sridhar, V, Barker, R, Aertgeerts, K. | Deposit date: | 2017-02-01 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J. Med. Chem., 60, 2017
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4JXI
| Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, BROMIDE ION, GLYCEROL, ... | Authors: | Kuzin, A, Smith, M.D, Richter, F, Lew, S, Seetharaman, R, Bryan, C, Lech, Z, Kiss, G, Moretti, R, Maglaqui, M, Xiao, R, Kohan, E, Smith, M, Everett, J.K, Nguyen, R, Pande, V, Hilvert, D, Kornhaber, G, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-03-28 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184 To be Published
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1TLE
| LE (LAMININ-TYPE EGF-LIKE) MODULE GIII4 IN SOLUTION AT PH 3.5 AND 290 K, NMR, 14 STRUCTURES | Descriptor: | LAMININ | Authors: | Baumgartner, R, Czisch, M, Mayer, U, Schl, E.P, Huber, R, Timpl, R, Holak, T.A. | Deposit date: | 1996-01-26 | Release date: | 1997-02-12 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Structure of the nidogen binding LE module of the laminin gamma1 chain in solution. J.Mol.Biol., 257, 1996
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1XK5
| Crystal structure of the m3G-cap-binding domain of snurportin1 in complex with a m3GpppG-cap dinucleotide | Descriptor: | 2,2,7-TRIMETHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, snurportin-1 | Authors: | Strasser, A, Dickmanns, A, Luehrmann, R, Ficner, R. | Deposit date: | 2004-09-27 | Release date: | 2005-06-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for m(3)G-cap-mediated nuclear import of spliceosomal UsnRNPs by snurportin1 Embo J., 24, 2005
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2DVC
| Structure of the bovine lactoferrin C-lobe complex with sucrose at 3.0 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | Authors: | Mir, R, Prem Kumar, R, Bhardwaj, R, Ethayathulla, A.S, Sinha, M, Singh, N, Bhushan, A, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2006-07-31 | Release date: | 2006-08-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the bovine lactoferrin C-lobe complex with sucrose at 3.0 A resolution To be Published
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7R5A
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7R4Q
| The SARS-CoV-2 spike in complex with the 1.29 neutralizing nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.29, ... | Authors: | Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A. | Deposit date: | 2022-02-09 | Release date: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron. Front Immunol, 13, 2022
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7R4I
| The SARS-CoV-2 spike in complex with the 2.15 neutralizing nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 2.15, ... | Authors: | Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A. | Deposit date: | 2022-02-08 | Release date: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron. Front Immunol, 13, 2022
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7R4R
| The SARS-CoV-2 spike in complex with the 1.10 neutralizing nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Camel-derived nanobody 1.10, ... | Authors: | Casasnovas, J.M, Melero, R, Arranz, R, Fernandez, L.A. | Deposit date: | 2022-02-09 | Release date: | 2022-06-08 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Nanobodies Protecting From Lethal SARS-CoV-2 Infection Target Receptor Binding Epitopes Preserved in Virus Variants Other Than Omicron. Front Immunol, 13, 2022
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8G6U
| Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with 8ANC195 and 10-1074 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CRF-1_AE T/F100 HIV-1 gp41, ... | Authors: | Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M. | Deposit date: | 2023-02-16 | Release date: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir. Nat Commun, 14, 2023
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2YVL
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7RKL
| Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (P1 space group) | Descriptor: | 3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide, NNMT protein, SULFATE ION | Authors: | Yadav, R, Noinaj, N, Iyamu, I.D, Huang, R. | Deposit date: | 2021-07-22 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Exploring Unconventional SAM Analogues To Build Cell-Potent Bisubstrate Inhibitors for Nicotinamide N-Methyltransferase. Angew.Chem.Int.Ed.Engl., 61, 2022
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7RKK
| Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (C2 space group) | Descriptor: | 3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide, NNMT protein | Authors: | Yadav, R, Noinaj, N, Iyamu, I.D, Huang, R. | Deposit date: | 2021-07-22 | Release date: | 2022-07-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Exploring Unconventional SAM Analogues To Build Cell-Potent Bisubstrate Inhibitors for Nicotinamide N-Methyltransferase. Angew.Chem.Int.Ed.Engl., 61, 2022
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2DBQ
| Crystal Structure of Glyoxylate Reductase (PH0597) from Pyrococcus horikoshii OT3, Complexed with NADP (I41) | Descriptor: | GLYCEROL, Glyoxylate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Yoshikawa, S, Arai, R, Kinoshita, Y, Uchikubo-Kamo, T, Akasaka, R, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-12-16 | Release date: | 2006-06-16 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of archaeal glyoxylate reductase from Pyrococcus horikoshii OT3 complexed with nicotinamide adenine dinucleotide phosphate. Acta Crystallogr.,Sect.D, 63, 2007
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4PML
| Crystal Structure of human Tankyrase 2 in complex with 3-amino-benzamide. | Descriptor: | 1,2-ETHANEDIOL, 3-aminobenzamide, DIMETHYL SULFOXIDE, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-22 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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4PNL
| Crystal structure of TNKS-2 in complex with DR2313. | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | Authors: | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2014-05-23 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallogr.,Sect.D, 70, 2014
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