1MQ6
 
 | | Crystal Structure of 3-chloro-N-[4-chloro-2-[[(5-chloro-2-pyridinyl)amino]carbonyl]-6-methoxyphenyl]-4-[[(4,5-dihydro-2-oxazolyl)methylamino]methyl]-2-thiophenecarboxamide Complexed with Human Factor Xa | | Descriptor: | 3-CHLORO-N-[4-CHLORO-2-[[(5-CHLORO-2-PYRIDINYL)AMINO]CARBONYL]-6-METHOXYPHENYL]-4-[[(4,5-DIHYDRO-2-OXAZOLYL)METHYLAMINO]METHYL]-2-THIOPHENECARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | | Authors: | Adler, M, Whitlow, M. | | Deposit date: | 2002-09-13 | | Release date: | 2003-01-28 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Biochemistry, 41, 2002
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2CRT
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6GAE
 | | BACTERIORHODOPSIN, 560 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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6G7J
 | | Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 457-646 fs state structure | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | | Authors: | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | | Deposit date: | 2018-04-06 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
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6GA7
 | | BACTERIORHODOPSIN, 240FS STATE, REAL-SPACE REFINED AGAINST 10% EXTRAPOLATED MAP | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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6GAI
 | | BACTERIORHODOPSIN, 740 FS STATE, REAL-SPACE REFINED AGAINST 15% EXTRAPOLATED STRUCTURE FACTORS | | Descriptor: | 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ... | | Authors: | Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Schlichting, I. | | Deposit date: | 2018-04-11 | | Release date: | 2019-04-24 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
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6GAR
 | | Crystal structure of oxidised ferredoxin/flavodoxin NADP+ oxidoreductase 1 (FNR1) from Bacillus cereus | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ... | | Authors: | Skramo, S, Gudim, I, Hersleth, H.-P. | | Deposit date: | 2018-04-12 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Characterization of Different Flavodoxin Reductase-Flavodoxin (FNR-Fld) Interactions Reveals an Efficient FNR-Fld Redox Pair and Identifies a Novel FNR Subclass.
Biochemistry, 57, 2018
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1FE3
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6GHM
 | | Structure of PP1 alpha phosphatase bound to ASPP2 | | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Apoptosis-stimulating of p53 protein 2, ... | | Authors: | Mouilleron, S, Bertran, T.M, Tapon, N, Zhou, Y. | | Deposit date: | 2018-05-08 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | ASPP proteins discriminate between PP1 catalytic subunits through their SH3 domain and the PP1 C-tail.
Nat Commun, 10, 2019
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3BJ8
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6CRX
 | | SARS Spike Glycoprotein, Stabilized variant, two S1 CTDs in the upwards conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ... | | Authors: | Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B. | | Deposit date: | 2018-03-19 | | Release date: | 2018-04-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
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5MA1
 | | PCE reductive dehalogenase from S. multivorans in complex with 2,4,6-trichlorophenol | | Descriptor: | 2,4,6-trichlorophenol, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | | Deposit date: | 2016-11-02 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.498 Å) | | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Nat Commun, 8, 2017
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6CRW
 | | SARS Spike Glycoprotein, Stabilized variant, single upwards S1 CTD conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ... | | Authors: | Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B. | | Deposit date: | 2018-03-19 | | Release date: | 2018-04-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
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6D05
 | | Cryo-EM structure of a Plasmodium vivax invasion complex essential for entry into human reticulocytes; two molecules of parasite ligand, subclass 2. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Gruszczyk, J, Huang, R.K, Hong, C, Yu, Z, Tham, W.H. | | Deposit date: | 2018-04-10 | | Release date: | 2018-06-20 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Nature, 559, 2018
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5MM4
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8CX9
 | | Structure of the SARS-COV2 PLpro (C111S) in complex with a dimeric Ubv that inhibits activity by an unusual allosteric mechanism | | Descriptor: | BROMIDE ION, CHLORIDE ION, Papain-like protease nsp3, ... | | Authors: | Singer, A.U, Slater, C.L, Patel, A, Russel, R, Mark, B.L, Sidhu, S.S. | | Deposit date: | 2022-05-20 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Ubiquitin variants potently inhibit SARS-CoV-2 PLpro and viral replication via a novel site distal to the protease active site.
Plos Pathog., 18, 2022
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2CB5
 | | HUMAN BLEOMYCIN HYDROLASE, C73S/DELE455 MUTANT | | Descriptor: | PROTEIN (BLEOMYCIN HYDROLASE) | | Authors: | O'Farrell, P.A, Gonzalez, F, Zheng, W, Johnston, S.A, Joshua-Tor, L. | | Deposit date: | 1999-03-02 | | Release date: | 2000-03-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of human bleomycin hydrolase, a self-compartmentalizing cysteine protease.
Structure Fold.Des., 7, 1999
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6DWN
 | | Structure of Human Cytochrome P450 1A1 with Erlotinib | | Descriptor: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Bart, A.G, Scott, E.E. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of human cytochrome P450 1A1 with bergamottin and erlotinib reveal active-site modifications for binding of diverse ligands.
J. Biol. Chem., 293, 2018
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8RGI
 | | Structure of DYNLT1:DYNLT2B (TCTEX1:TCTEX1D2) heterodimer. | | Descriptor: | Dynein light chain Tctex-type 1, Dynein light chain Tctex-type protein 2B | | Authors: | Mukhopadhyay, A.G, Toropova, K, Daly, L, Wells, J, Vuolo, L, Seda, M, Jenkins, D, Stephens, D.J, Roberts, A.J. | | Deposit date: | 2023-12-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structure and tethering mechanism of dynein-2 intermediate chains in intraflagellar transport.
Embo J., 43, 2024
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5M67
 | | Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenine and 2'-deoxyadenosine | | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, ACETATE ION, ADENINE, ... | | Authors: | Manszewski, T, Jaskolski, M. | | Deposit date: | 2016-10-24 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystallographic and SAXS studies of S-adenosyl-l-homocysteine hydrolase from Bradyrhizobium elkanii.
IUCrJ, 4, 2017
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6DM1
 | | Open state GluA2 in complex with STZ and blocked by NASPM, after micelle signal subtraction | | Descriptor: | CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, ... | | Authors: | Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I. | | Deposit date: | 2018-06-04 | | Release date: | 2018-08-22 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018
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5NG5
 | | multi-drug efflux; membrane transport; RND superfamily; Drug resistance | | Descriptor: | 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, Multidrug efflux pump accessory protein AcrZ, Multidrug efflux pump subunit AcrA, ... | | Authors: | Wang, Z, Fan, G, Hryc, C.F, Blaza, J.N, Serysheva, I.I, Schmid, M.F, Chiu, W, Luisi, B.F, Du, D. | | Deposit date: | 2017-03-16 | | Release date: | 2017-04-19 | | Last modified: | 2017-08-02 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | An allosteric transport mechanism for the AcrAB-TolC Multidrug Efflux Pump.
Elife, 6, 2017
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5NMC
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2FGB
 | | Crystal structure of human 17bet a-hydroxysteroid dehydrogenase type 5 in complexes with PEG and NADP | | Descriptor: | ACETATE ION, Aldo-keto reductase family 1 member C3, HEXAETHYLENE GLYCOL, ... | | Authors: | Qiu, W, Zhou, M, Azzi, A, Luu-The, V, Labrie, F, Lin, S.X. | | Deposit date: | 2005-12-21 | | Release date: | 2006-12-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure-based inhibitor design for an enzyme that binds different steroids: a potent inhibitor for human type 5 17beta-hydroxysteroid dehydrogenase.
J.Biol.Chem., 282, 2007
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1M4R
 | | CRYSTAL STRUCTURE OF RECOMBINANT HUMAN INTERLEUKIN-22 | | Descriptor: | Interleukin-22 | | Authors: | Nagem, R.A.P, Colau, D, Dumoutier, L, Renauld, J.-C, Ogata, C, Polikarpov, I. | | Deposit date: | 2002-07-03 | | Release date: | 2003-07-07 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of Recombinant Human Interleukin-22
Structure, 10, 2002
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