5C2N
| The de novo evolutionary emergence of a symmetrical protein is shaped by folding constraints | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta propeller | Authors: | Smock, R.G, Yadid, I, Dym, O, Clarke, J, Tawfik, D.S. | Deposit date: | 2015-06-16 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | De Novo Evolutionary Emergence of a Symmetrical Protein Is Shaped by Folding Constraints. Cell, 164, 2016
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1QTO
| 1.5 A CRYSTAL STRUCTURE OF A BLEOMYCIN RESISTANCE DETERMINANT FROM BLEOMYCIN-PRODUCING STREPTOMYCES VERTICILLUS | Descriptor: | BLEOMYCIN-BINDING PROTEIN | Authors: | Kawano, Y, Kumagai, T, Muta, K, Matoba, Y, Davies, J, Sugiyama, M. | Deposit date: | 1999-06-28 | Release date: | 2000-06-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The 1.5 A crystal structure of a bleomycin resistance determinant from bleomycin-producing Streptomyces verticillus. J.Mol.Biol., 295, 2000
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5C1M
| Crystal structure of active mu-opioid receptor bound to the agonist BU72 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ... | Authors: | Huang, W.J, Manglik, A, Venkatakrishnan, A.J, Laeremans, T, Feinberg, E.N, Sanborn, A.L, Kato, H.E, Livingston, K.E, Thorsen, T.S, Kling, R, Granier, S, Gmeiner, P, Husbands, S.M, Traynor, J.R, Weis, W.I, Steyaert, J, Dror, R.O, Kobilka, B.K. | Deposit date: | 2015-06-15 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structural insights into mu-opioid receptor activation. Nature, 524, 2015
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5C3Q
| Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG and thymine (T) | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, NICKEL (II) ION, ... | Authors: | Li, W, Zhang, T, Ding, J. | Deposit date: | 2015-06-17 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi Nucleic Acids Res., 43, 2015
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2IVV
| Crystal structure of phosphorylated RET tyrosine kinase domain complexed with the inhibitor PP1 | Descriptor: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET PRECURSOR | Authors: | Knowles, P.P, Murray-Rust, J, McDonald, N.Q. | Deposit date: | 2006-06-16 | Release date: | 2006-08-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure and chemical inhibition of the RET tyrosine kinase domain. J. Biol. Chem., 281, 2006
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4QOJ
| CRYSTAL STRUCTURE OF FMN QUINONE REDUCTASE 2 IN COMPLEX WITH RESVERATROL AT 1.85A | Descriptor: | FLAVIN MONONUCLEOTIDE, RESVERATROL, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Serriere, J, Boutin, J.A, Isabet, T, Antoine, M, Ferry, G. | Deposit date: | 2014-06-20 | Release date: | 2015-08-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | CRYSTAL STRUCTURE OF FMN QUINONE REDUCTASE 2 IN COMPLEX WITH RESVERATROL AT 1.85A To be Published
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7LY9
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5C6D
| Crystal structure of USP7 in complex with UHRF1 | Descriptor: | E3 ubiquitin-protein ligase UHRF1, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Zhang, Z.-M, Song, J. | Deposit date: | 2015-06-22 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | An Allosteric Interaction Links USP7 to Deubiquitination and Chromatin Targeting of UHRF1. Cell Rep, 12, 2015
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4QAW
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4QPF
| New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) | Authors: | Ebetino, F.H, Lundy, M, Kwaasi, A.A, Dunford, J.E, Duan, Z, Triffitt, J, Mazur, A, Jeans, G, Barnett, B.L, Russell, R.G.G. | Deposit date: | 2014-06-23 | Release date: | 2015-06-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption To be Published
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5C8H
| Crystal structure of ORC2 C-terminal domain | Descriptor: | Origin recognition complex subunit 2, UNKNOWN ATOM OR ION | Authors: | Tempel, W, Xu, C, Dong, A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-06-25 | Release date: | 2015-07-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Crystal structure of ORC2 C-terminal domain To Be Published
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7L7P
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7L7O
| Crystal structure of HCV NS3/4A D168A protease in complex with NR04-49 | Descriptor: | (1R,3r,5S)-bicyclo[3.1.0]hexan-3-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, 1,2-ETHANEDIOL, NS3/4A protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2020-12-29 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J.Med.Chem., 64, 2021
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7LRL
| Co-complex CYP46A1 with 7742 (Soticlestat/TAK-935)) | Descriptor: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone | Authors: | Lane, W, Yano, J. | Deposit date: | 2021-02-16 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H). J.Med.Chem., 64, 2021
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4Q4B
| Crystal structure of LIMP-2 (space group C2221) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosome membrane protein 2, ... | Authors: | Zhao, Y, Ren, J, Padilla-Parra, S, Fry, L.E, Stuart, D.I. | Deposit date: | 2014-04-14 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Lysosome sorting of beta-glucocerebrosidase by LIMP-2 is targeted by the mannose 6-phosphate receptor. Nat Commun, 5, 2014
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7LS4
| Co-complex CYP46A1 with 9129 (1b) | Descriptor: | Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone | Authors: | Lane, W, Yano, J. | Deposit date: | 2021-02-17 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H). J.Med.Chem., 64, 2021
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4QHS
| Crystal structure of AAA+sigma 54 activator domain of the flagellar regulatory protein FlrC of Vibrio cholerae in nucleotide free state | Descriptor: | 1,2-ETHANEDIOL, Flagellar regulatory protein C | Authors: | Dey, S, Biswas, M, Sen, U, Dasgupta, J. | Deposit date: | 2014-05-29 | Release date: | 2014-07-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Unique ATPase site architecture triggers cis-mediated synchronized ATP binding in heptameric AAA+-ATPase domain of flagellar regulatory protein FlrC J.Biol.Chem., 290, 2015
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1USQ
| Complex of E. Coli DraE adhesin with Chloramphenicol | Descriptor: | 1,2-ETHANEDIOL, CHLORAMPHENICOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, ... | Authors: | Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S. | Deposit date: | 2003-11-27 | Release date: | 2004-08-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol J.Biol.Chem., 279, 2004
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1QOO
| lectin UEA-II complexed with NAG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHITIN BINDING LECTIN, ... | Authors: | Loris, R, De Greve, H, Dao-Thi, M.-H, Messens, J, Imberty, A, Wyns, L. | Deposit date: | 1999-11-15 | Release date: | 1999-11-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural Basis of Carbohydrate Recognition by Lectin II from Ulex Europaeus, a Protein with a Promiscuous Carbohydrate Binding Site J.Mol.Biol., 301, 2000
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7L7N
| Crystal structure of HCV NS3/4A D168A protease in complex with NR02-59 | Descriptor: | 1,2-ETHANEDIOL, 1-(trifluoromethyl)cyclobutyl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, NS3 protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2020-12-29 | Release date: | 2021-09-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Discovery of Quinoxaline-Based P1-P3 Macrocyclic NS3/4A Protease Inhibitors with Potent Activity against Drug-Resistant Hepatitis C Virus Variants. J.Med.Chem., 64, 2021
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7LZE
| Cryo-EM Structure of disulfide stabilized HMPV F v4-B | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0 | Authors: | Gorman, J, Kwong, P.D. | Deposit date: | 2021-03-09 | Release date: | 2021-08-25 | Last modified: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Interprotomer disulfide-stabilized variants of the human metapneumovirus fusion glycoprotein induce high titer-neutralizing responses. Proc.Natl.Acad.Sci.USA, 118, 2021
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4Q7D
| Wild type Fc (wtFc) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region | Authors: | Ahmed, A.A, Giddens, J, Pincetic, A, Lomino, J.V, Ravetch, J.V, Wang, L.X, Bjorkman, P.J. | Deposit date: | 2014-04-24 | Release date: | 2014-07-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural characterization of anti-inflammatory immunoglobulin g fc proteins. J.Mol.Biol., 426, 2014
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5CEG
| X-ray structure of toxin/anti-toxin complex from Mesorhizobium opportunistum | Descriptor: | Addiction module antidote protein, CopG/Arc/MetJ family, GLYCEROL, ... | Authors: | Aakre, C.D, Herrou, J, Crosson, S, Laub, M.T. | Deposit date: | 2015-07-06 | Release date: | 2015-11-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Evolving New Protein-Protein Interaction Specificity through Promiscuous Intermediates. Cell, 163, 2015
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4DKQ
| Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with DMJ-I-228 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | Deposit date: | 2012-02-03 | Release date: | 2012-05-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors. J.Med.Chem., 55, 2012
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4QA9
| Ensemble refinement of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus. | Descriptor: | 1,2-ETHANEDIOL, Epoxide hydrolase, SULFATE ION | Authors: | Wang, F, Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J, Ma, M, Shen, B, Joachimiak, A, Phillips Jr, G.N, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-05-02 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Ensemble refinement of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus. To be Published
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