1TBZ
 
 | | HUMAN THROMBIN WITH ACTIVE SITE N-METHYL-D PHENYLALANYL-N-[5-(AMINOIMINOMETHYL)AMINO]-1-{{BENZOTHIAZOLYL)CARBONYL] BUTYL]-L-PROLINAMIDE TRIFLUROACETATE AND EXOSITE-HIRUGEN | | Descriptor: | ALPHA-THROMBIN, D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide, HIRUGEN, ... | | Authors: | Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A. | | Deposit date: | 1998-02-05 | | Release date: | 1998-05-27 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site.
Biophys.J., 71, 1996
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5GLI
 | | Human endothelin receptor type-B in the ligand-free form | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Endothelin Receptor Subtype-B, OLEIC ACID, ... | | Authors: | Shihoya, W, Nishizawa, T, Okuta, A, Tani, K, Fujiyoshi, Y, Dohmae, N, Nureki, O, Doi, T. | | Deposit date: | 2016-07-11 | | Release date: | 2016-09-07 | | Last modified: | 2020-02-26 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Activation mechanism of endothelin ETB receptor by endothelin-1.
Nature, 537, 2016
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4TL7
 | | Crystal structure of N-terminal C1 domain of KaiC | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Circadian clock protein kinase KaiC, ... | | Authors: | Abe, J, Hiyama, T.B, Mukaiyama, A, Son, S, Akiyama, S. | | Deposit date: | 2014-05-29 | | Release date: | 2015-07-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.936 Å) | | Cite: | Circadian rhythms. Atomic-scale origins of slowness in the cyanobacterial circadian clock.
Science, 349, 2015
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8BVL
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1TMB
 | | MOLECULAR BASIS FOR THE INHIBITION OF HUMAN ALPHA-THROMBIN BY THE MACROCYCLIC PEPTIDE CYCLOTHEONAMIDE A | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ... | | Authors: | Qiu, X, Padmanabhan, K.P, Maryanoff, B.E, Tulinsky, A. | | Deposit date: | 1993-05-27 | | Release date: | 1994-01-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the inhibition of human alpha-thrombin by the macrocyclic peptide cyclotheonamide A.
Proc.Natl.Acad.Sci.USA, 90, 1993
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4IV3
 | | Crystal structure of recombinant foot-and-mouth-disease virus A22-H2093C empty capsid | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Porta, C, Kotecha, A, Burman, A, Jackson, T, Ren, J, Loureiro, S, Jones, I.M, Fry, E.E, Stuart, D.I, Charleston, B. | | Deposit date: | 2013-01-22 | | Release date: | 2013-04-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Rational engineering of recombinant picornavirus capsids to produce safe, protective vaccine antigen.
Plos Pathog., 9, 2013
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3C96
 | | Crystal structure of the flavin-containing monooxygenase phzS from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium target PaR240 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase | | Authors: | Vorobiev, S.M, Chen, Y, Seetharaman, J, Wang, D, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-02-15 | | Release date: | 2008-02-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the flavin-containing monooxygenase phzS from Pseudomonas aeruginosa.
To be Published
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8B64
 | | Cryo-EM structure of RC-LH1-PufX photosynthetic core complex from Rba. capsulatus | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Bracun, L, Yamagata, A, Shirouzu, M, Liu, L.N. | | Deposit date: | 2022-09-26 | | Release date: | 2023-02-01 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.589 Å) | | Cite: | Cryo-EM structure of a monomeric RC-LH1-PufX supercomplex with high-carotenoid content from Rhodobacter capsulatus.
Structure, 31, 2023
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2LUH
 | | NMR structure of the Vta1-Vps60 complex | | Descriptor: | Vacuolar protein sorting-associated protein VTA1, Vacuolar protein-sorting-associated protein 60 | | Authors: | Yang, Z, Vild, C, Ju, J, Zhang, X, Liu, J, Shen, J, Zhao, B, Lan, W, Gong, F, Liu, M, Cao, C, Xu, Z. | | Deposit date: | 2012-06-13 | | Release date: | 2012-11-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Basis of Molecular Recognition between ESCRT-III-like Protein Vps60 and AAA-ATPase Regulator Vta1 in the Multivesicular Body Pathway.
J.Biol.Chem., 287, 2012
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8U6Y
 | | Preholo-Proteasome from Beta 3 D205 deletion | | Descriptor: | Proteasome assembly chaperone 2, Proteasome chaperone 1, Proteasome maturation factor UMP1, ... | | Authors: | Walsh Jr, R.M, Rawson, S, Velez, B, Blickling, M, Razi, A, Hanna, J. | | Deposit date: | 2023-09-14 | | Release date: | 2024-04-17 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanism of autocatalytic activation during proteasome assembly.
Nat.Struct.Mol.Biol., 31, 2024
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4J4Z
 | | Crystal structure of the improved variant of the evolved serine hydrolase, OSH55.4_H1.2, bond with sulfate ion in the active site, Northeast Structural Genomics Consortium (NESG) Target OR301 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Designed serine hydrolase variant OSH55.4_H1.2, ... | | Authors: | Kuzin, A.P, Lew, S, Rajagopalan, S, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-02-07 | | Release date: | 2013-03-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Crystal structure of the improved variant of the evolved serine hydrolase, OSH55.4_H1.2, bond with sulfate ion in the active site, Northeast Structural Genomics Consortium (NESG) Target OR301
To be Published
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4IZS
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6RST
 | | TBK1 in complex with inhibitor compound 24 | | Descriptor: | 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one, Serine/threonine-protein kinase TBK1 | | Authors: | Panne, D, Hillig, R.C, Rengachari, S. | | Deposit date: | 2019-05-22 | | Release date: | 2020-01-01 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020
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6RT9
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5MSZ
 | | Lytic Polysaccharide Monooxygenase AA15 from Thermobia domestica in the Cu(I) State | | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, Thermobia domestica domestica AA15 | | Authors: | Hemsworth, G.R, Sabbadin, F, Ciano, L, Henrissat, B, Dupree, P, Tryfona, T, Besser, K, Elias, L, Pesante, G, Li, Y, Dowle, A, Bates, R, Gomez, L, Hallam, R, Davies, G.J, Walton, P.H, Bruce, N.C, McQueen-Mason, S. | | Deposit date: | 2017-01-06 | | Release date: | 2018-02-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | An ancient family of lytic polysaccharide monooxygenases with roles in arthropod development and biomass digestion.
Nat Commun, 9, 2018
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4J2V
 | | Crystal Structure of Equine Serum Albumin in complex with 3,5-diiodosalicylic acid | | Descriptor: | 2-HYDROXY-3,5-DIIODO-BENZOIC ACID, ACETATE ION, FORMIC ACID, ... | | Authors: | Sekula, B, Bujacz, A, Zielinski, K, Bujacz, G. | | Deposit date: | 2013-02-05 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Crystallographic studies of the complexes of bovine and equine serum albumin with 3,5-diiodosalicylic acid.
Int.J.Biol.Macromol., 60C, 2013
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1U53
 | | Novel X-Ray Structure of Na-ASP-2, a PR-1 protein from the nematode parasite Necator americanus and a vaccine antigen for human hookworm infection | | Descriptor: | secreted protein ASP-2 | | Authors: | Asojo, O.A, Goud, G, Dhar, K, Loukas, A, Zhan, B, Deumic, V, Liu, S, Borgstahl, G.E.O, Hotez, P.J. | | Deposit date: | 2004-07-26 | | Release date: | 2005-02-01 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | X-ray structure of Na-ASP-2, a pathogenesis-related-1 protein from the nematode parasite, Necator americanus, and a vaccine antigen for human hookworm infection.
J.Mol.Biol., 346, 2005
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5MV0
 | | Structure of an N-terminal domain of a reptarenavirus L protein | | Descriptor: | L protein, PHOSPHATE ION | | Authors: | Rosenthal, M, Gogrefe, N, Reguera, J, Vogel, D, Rauschenberger, B, Cusack, S, Gunther, S, Reindl, S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural insights into reptarenavirus cap-snatching machinery.
PLoS Pathog., 13, 2017
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5MVH
 | | Glycoside Hydrolase BACCELL_00856 | | Descriptor: | BACCELL_00856 | | Authors: | Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J. | | Deposit date: | 2017-01-16 | | Release date: | 2017-04-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unusual active site location and catalytic apparatus in a glycoside hydrolase family.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6RWH
 | | Fragment AZ-007 binding at a primary and secondary binding site of the the p53pT387/14-3-3 sigma complex | | Descriptor: | 14-3-3 protein sigma, 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-06-05 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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7E56
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4ZDZ
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with fluconazole | | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2015-04-20 | | Release date: | 2016-03-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase.
Sci Rep, 6, 2016
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3CBZ
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6VER
 | | Human insulin analog: [GluB10,TyrB20]-DOI | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X. | | Deposit date: | 2020-01-02 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.047 Å) | | Cite: | Mini-Ins: A minimal, bioactive insulin analog with alternative binding modes
not published
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4IU1
 | | Crystal structure of Leishmania mexicana arginase in complex with inhibitor nor-NOHA | | Descriptor: | Arginase, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W. | | Deposit date: | 2013-01-19 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections.
Arch.Biochem.Biophys., 535, 2013
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