2JRM
 
 | | Solution NMR structure of ribosome modulation factor VP1593 from Vibrio parahaemolyticus. Northeast Structural Genomics target VpR55 | | Descriptor: | Ribosome modulation factor | | Authors: | Tang, Y, Rossi, P, Swapna, G, Wang, H, Jiang, M, Cunningham, K, Owens, L, Ma, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-06-27 | | Release date: | 2007-07-17 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of Ribosome Modulation Factor VP1593 from Vibrio parahaemolyticus.
To be Published
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7B6A
 | | BK Polyomavirus VP1 pentamer core (residues 30-299) | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, IODIDE ION, ... | | Authors: | Osipov, E.M, Munawar, A, Beelen, S, Strelkov, S.V. | | Deposit date: | 2020-12-07 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors.
Rsc Chem Biol, 3, 2022
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5LUN
 | | Ethylene Forming Enzyme from Pseudomonas syringae pv. phaseolicola - P1 ultra-high resolution crystal form in complex with iron, N-oxalylglycine and arginine | | Descriptor: | 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, FE (III) ION, ... | | Authors: | McDonough, M.A, Zhang, Z, Schofield, C.J. | | Deposit date: | 2016-09-09 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Structural and stereoelectronic insights into oxygenase-catalyzed formation of ethylene from 2-oxoglutarate.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2ZO5
 | | Structure of the Thioalkalivibrio nitratireducens cytochrome c nitrite reductase in a complex with azide | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AZIDE ION, ... | | Authors: | Polyakov, K.M, Boyko, K.M, Slutsky, A, Tikhonova, T.V, Antipov, A.N, Zvyagilskaya, R.A, Popov, A.N, Lamzin, V.S, Bourenkov, G.P, Popov, V.O. | | Deposit date: | 2008-05-05 | | Release date: | 2009-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | High-resolution structural analysis of a novel octaheme cytochrome c nitrite reductase from the haloalkaliphilic bacterium Thioalkalivibrio nitratireducens
J.Mol.Biol., 389, 2009
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2JJP
 | | Structure of cytochrome P450 EryK in complex with inhibitor ketoconazole (KC) | | Descriptor: | 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE, CYTOCHROME P450 113A1, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Savino, C, Sciara, G, Miele, A.E, Kendrew, S.G, Vallone, B. | | Deposit date: | 2008-04-15 | | Release date: | 2009-07-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Azole Drugs Trap Cytochrome P450 Eryk in Alternative Conformational States.
Biochemistry, 49, 2010
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3HPG
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7LY6
 | | Structure of a trans-acting NRPS oxidase, BmdC, involved in bacillamide biosynthesis | | Descriptor: | BmdC, NRPS oxidase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Fortinez, C.M, Bloudoff, K, Schmeing, T.M. | | Deposit date: | 2021-03-05 | | Release date: | 2022-02-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Structures and function of a tailoring oxidase in complex with a nonribosomal peptide synthetase module.
Nat Commun, 13, 2022
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7DWB
 | | Human Pannexin1 model | | Descriptor: | Pannexin-1 | | Authors: | Zhang, S.S, Yang, M.J. | | Deposit date: | 2021-01-17 | | Release date: | 2021-05-26 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Structure of the full-length human Pannexin1 channel and insights into its role in pyroptosis.
Cell Discov, 7, 2021
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5LWS
 | | Endothiapepsin in complex with fragment 177 and a derivative thereof | | Descriptor: | 4-[12-[(1-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazin-3-ium-3-yl)methyl]-10,11-dimethyl-3,4,6,7,11-pentazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-5-yl]-1,2,5-trimethyl-pyrrole-3-carbaldehyde, 4-chloranyl-5,6,7-trimethyl-pyrrolo[3,4-d]pyridazine, ACETATE ION, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2016-09-19 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring.
Angew. Chem. Int. Ed. Engl., 56, 2017
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7LEI
 | | HIV-1 Protease WT (NL4-3) in Complex with PU10 (LR4-07) | | Descriptor: | Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2021-01-14 | | Release date: | 2022-01-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.943 Å) | | Cite: | HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
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3HRD
 | | Crystal structure of nicotinate dehydrogenase | | Descriptor: | CALCIUM ION, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Wagener, N, Pierik, A.J, Hille, R, Dobbek, H. | | Deposit date: | 2009-06-09 | | Release date: | 2009-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Mo-Se active site of nicotinate dehydrogenase
Proc.Natl.Acad.Sci.USA, 106, 2009
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3HXE
 | | Engineered RabGGTase in complex with a peptidomimetic inhibitor (compound 37) | | Descriptor: | CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, Geranylgeranyl transferase type-2 subunit beta, ... | | Authors: | Guo, Z, Alexandrov, K, Waldmann, H, Goody, R.S, Blankenfeldt, W. | | Deposit date: | 2009-06-20 | | Release date: | 2009-09-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design, synthesis, and characterization of Peptide-based rab geranylgeranyl transferase inhibitors
J.Med.Chem., 52, 2009
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7B1D
 | | Cryo-EM of Aedes Aegypti Toll5A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor | | Authors: | Gangloff, M, Hardwick, S.W, Chirgadze, D.Y. | | Deposit date: | 2020-11-24 | | Release date: | 2022-07-13 | | Last modified: | 2023-01-25 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Structure and dynamics of Toll immunoreceptor activation in the mosquito Aedes aegypti.
Nat Commun, 13, 2022
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2JCD
 | | Structure of the N-oxygenase AurF from Streptomyces thioluteus | | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, N-OXIDASE | | Authors: | Zocher, G.E, Winkler, R, Hertweck, C, Schulz, G.E. | | Deposit date: | 2006-12-21 | | Release date: | 2007-09-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Structure and Action of the N-Oxygenase Aurf from Streptomyces Thioluteus.
J.Mol.Biol., 373, 2007
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8QN0
 | | Soluble epoxide hydrolase in complex with RK3 | | Descriptor: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | | Authors: | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-25 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
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7TW1
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8QMZ
 | | Soluble epoxide hydrolase in complex with RK4 | | Descriptor: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | | Authors: | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-25 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes.
Science, 383, 2024
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5LXY
 | | Structure of the minimal RBM7 - ZCCHC8 Complex | | Descriptor: | BROMIDE ION, RNA-binding protein 7, Zinc finger CCHC domain-containing protein 8 | | Authors: | Falk, S, Finogenova, K, Benda, C, Conti, E. | | Deposit date: | 2016-09-23 | | Release date: | 2016-12-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure of the RBM7-ZCCHC8 core of the NEXT complex reveals connections to splicing factors.
Nat Commun, 7, 2016
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2ZRT
 | | Crystal structure of Zn2+-bound form of des3-23ALG-2 | | Descriptor: | Programmed cell death protein 6, ZINC ION | | Authors: | Suzuki, H, Kawasaki, M, Kakiuchi, T, Shibata, H, Wakatsuki, S, Maki, M. | | Deposit date: | 2008-09-01 | | Release date: | 2008-11-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystallization and X-ray diffraction analysis of N-terminally truncated human ALG-2
ACTA CRYSTALLOGR.,SECT.F, 64, 2008
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7P3L
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8RDX
 | | PGGtase I in complex with probe BAY-6092 | | Descriptor: | (5~{R})-5-(2-methoxyphenyl)-9-[(2~{R})-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]-3,9-diazaspiro[5.5]undecan-2-one, CHLORIDE ION, DIPHOSPHATE, ... | | Authors: | Steuber, H. | | Deposit date: | 2023-12-08 | | Release date: | 2024-02-14 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (3.67 Å) | | Cite: | Discovery of YAP1/TAZ pathway inhibitors through phenotypic screening with potent anti-tumor activity via blockade of Rho-GTPase signaling.
Cell Chem Biol, 31, 2024
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7P42
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7TNT
 | | The tubulin-based conoid from detergent-extract Toxoplasma gondii cells | | Descriptor: | Tubulin alpha chain, Tubulin beta chain | | Authors: | Sun, S.Y, Pintilie, G.D, Chen, M, Chiu, W. | | Deposit date: | 2022-01-21 | | Release date: | 2022-06-22 | | Method: | ELECTRON MICROSCOPY (9.3 Å) | | Cite: | Cryo-ET of Toxoplasma parasites gives subnanometer insight into tubulin-based structures.
Proc.Natl.Acad.Sci.USA, 119, 2022
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2O8Y
 | | Apo IRAK4 Kinase Domain | | Descriptor: | Interleukin-1 receptor-associated kinase 4 | | Authors: | Boriack-Sjodin, P.A, Mol, C. | | Deposit date: | 2006-12-12 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of the apo and inhibited IRAK4 kinase domain
To be Published
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8RQ4
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