4FQI
 
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4YE3
 | | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20 with Inhibitor GRL-4410A | | Descriptor: | (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Agniswamy, J, Weber, I.T. | | Deposit date: | 2015-02-23 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Substituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20.
J.Med.Chem., 58, 2015
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2RCV
 | | Crystal structure of the Bacillus subtilis superoxide dismutase | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn] | | Authors: | Liu, P, Ewis, H.E, Huang, Y.J, Lu, C.D, Tai, P.C, Weber, I.T. | | Deposit date: | 2007-09-20 | | Release date: | 2008-02-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure of Bacillus subtilis superoxide dismutase.
Acta Crystallogr.,Sect.F, 63, 2007
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1DXC
 | | CO complex of Myoglobin Mb-YQR at 100K | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Brunori, M, Vallone, B, Cutruzzola, F, Travaglini-Allocatelli, C, Berendzen, J, Chu, K, Sweet, R.M, Schlichting, I. | | Deposit date: | 2000-01-03 | | Release date: | 2000-04-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | The Role of Cavities in Protein Dynamics: Crystal Structure of a Novel Photolytic Intermediate of Myoglobin
Proc.Natl.Acad.Sci.USA, 97, 2000
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3P0C
 | | Nischarin PX-domain | | Descriptor: | GLYCEROL, Nischarin | | Authors: | Schutz, P, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Welin, M, Weigelt, J, Nordlund, P, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-09-28 | | Release date: | 2010-10-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.273 Å) | | Cite: | Crystal structure of Nischarin PX-domain
to be published
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1E34
 | | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA- TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID) PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR ONE MINUTE | | Descriptor: | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ... | | Authors: | Wright, P.A, Wilmouth, R.C, Clifton, I.J, Schofield, C.J. | | Deposit date: | 2000-06-06 | | Release date: | 2000-10-18 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | `Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes
Biochem.J., 351, 2000
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2YF0
 | | Human Myotubularin related protein 6 (MTMR6) | | Descriptor: | MYOTUBULARIN-RELATED PROTEIN 6, SULFATE ION | | Authors: | Moche, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Kouznetsova, E, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, VanDenBerg, S, Wahlberg, E, Weigelt, J, Welin, M, Nordlund, P. | | Deposit date: | 2011-03-31 | | Release date: | 2011-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal Structure of Human Mtmr6
To be Published
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3P3R
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6YE5
 | | Structure of ribosomal binding factor A RbfA of Staphylococcus aureus bacterium by NMR | | Descriptor: | Ribosome-binding factor A | | Authors: | Blokhin, D.S, Usachev, K.S, Bikmullin, A.G, Nurullina, L, Garaeva, N, Validov, S, Klochkov, V, Aganov, A, Khusainov, I, Yusupov, M. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-31 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structure of ribosomal binding factor A RbfA of Staphylococcus aureus bacterium by NMR
To Be Published
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8J7R
 | | Cryo-EM structure of the J-K-St region of EMCV IRES in complex with eIF4G-HEAT1 and eIF4A (J-K-St/eIF4G focused) | | Descriptor: | Eukaryotic translation initiation factor 4 gamma 1, IRES RNA (J-K-St), MAGNESIUM ION | | Authors: | Suzuki, H, Fujiyoshi, Y, Imai, S, Shimada, I. | | Deposit date: | 2023-04-28 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-13 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Dynamically regulated two-site interaction of viral RNA to capture host translation initiation factor.
Nat Commun, 14, 2023
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4IZJ
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6Z3P
 | | Structure of EV71 in complex with a protective antibody 38-3-11A Fab | | Descriptor: | SPHINGOSINE, VP1, VP2, ... | | Authors: | Zhou, D, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-02 | | Last modified: | 2020-10-28 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71.
Nat Commun, 11, 2020
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6Z4A
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4AOV
 | | DpIDH-NADP. The complex structures of Isocitrate dehydrogenase from Clostridium thermocellum and Desulfotalea psychrophila, support a new active site locking mechanism | | Descriptor: | ISOCITRATE DEHYDROGENASE [NADP], ISOCITRIC ACID, MAGNESIUM ION, ... | | Authors: | Leiros, H.-K.S, Fedoy, A.-E, Leiros, I, Steen, I.H. | | Deposit date: | 2012-03-30 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The Complex Structures of Isocitrate Dehydrogenase from Clostridium Thermocellum and Desulfotalea Psychrophila Suggest a New Active Site Locking Mechanism
FEBS Open Bio., 2, 2012
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4GDA
 | | Circular Permuted Streptavidin A50/N49 | | Descriptor: | BIOTIN, ETHANOL, GLYCEROL, ... | | Authors: | Le Trong, I, Chu, V, Xing, Y, Lybrand, T.P, Stayton, P.S, Stenkamp, R.E. | | Deposit date: | 2012-07-31 | | Release date: | 2013-06-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural consequences of cutting a binding loop: two circularly permuted variants of streptavidin.
Acta Crystallogr.,Sect.D, 69, 2013
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4G9P
 | | Structure of the GcpE-MEcPP (IspG) complex from Thermus thermophilus | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Rekittke, I, Jomaa, H, Ermler, U. | | Deposit date: | 2012-07-24 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of the GcpE (IspG)-MEcPP complex from Thermus thermophilus.
Febs Lett., 586, 2012
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4A32
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | | Descriptor: | 3,5-DICHLORO-3'-[(DIETHYLAMINO)METHYL]-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BIPHENYL-4-SULFONAMIDE, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | | Authors: | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2011-09-29 | | Release date: | 2011-12-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
J. Med. Chem., 55, 2012
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7QFN
 | | Human Topoisomerase II Beta ATPase ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-beta, MAGNESIUM ION, ... | | Authors: | Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A. | | Deposit date: | 2021-12-06 | | Release date: | 2022-05-25 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.621 Å) | | Cite: | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
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4YHQ
 | | Crystal structure of multidrug resistant clinical isolate PR20 with GRL-5010A | | Descriptor: | (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Agniswamy, J, Weber, I.T. | | Deposit date: | 2015-02-27 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Substituted Bis-THF Protease Inhibitors with Improved Potency against Highly Resistant Mature HIV-1 Protease PR20.
J.Med.Chem., 58, 2015
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7QFO
 | | Human Topoisomerase II Beta ATPase AMPPNP | | Descriptor: | ALANINE, DNA topoisomerase 2-beta, MAGNESIUM ION, ... | | Authors: | Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A. | | Deposit date: | 2021-12-06 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
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6Z3Q
 | | Structure of EV71 in complex with a protective antibody 38-1-10A Fab | | Descriptor: | Heavy chain, Light chain, SPHINGOSINE, ... | | Authors: | Zhou, D, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-02 | | Last modified: | 2020-10-28 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71.
Nat Commun, 11, 2020
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6QGU
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1361 | | Descriptor: | 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one, FORMIC ACID, GLYCEROL, ... | | Authors: | Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G. | | Deposit date: | 2019-01-13 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1361
To be published
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6Z5T
 | | SARS-CoV-2 Macrodomain in complex with ADP-ribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Replicase polyprotein 1ab, SODIUM ION | | Authors: | Zorzini, V, Rack, J, Ahel, I. | | Deposit date: | 2020-05-27 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.571 Å) | | Cite: | Viral macrodomains: a structural and evolutionary assessment of the pharmacological potential.
Open Biology, 10, 2020
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3OMV
 | | Crystal structure of c-raf (raf-1) | | Descriptor: | (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime, RAF proto-oncogene serine/threonine-protein kinase | | Authors: | Hatzivassiliou, G, Song, K, Yen, I, Brandhuber, B.J, Anderson, D.J, Alvarado, R, Ludlam, M.J, Stokoe, D, Gloor, S.L, Vigers, G.P.A, Morales, T, Aliagas, I, Liu, B, Sideris, S, Hoeflich, K.P, Jaiswal, B.S, Seshagiri, S, Koeppen, H, Belvin, M, Friedman, L.S, Malek, S. | | Deposit date: | 2010-08-27 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | RAF inhibitors prime wild-type RAF to activate the MAPK pathway and enhance growth.
Nature, 464, 2010
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4IVP
 | | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with IN51/20 | | Descriptor: | 6-[3-hydroxy-2-(hydroxymethyl)prop-1-en-1-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, SULFATE ION, Thymidine kinase | | Authors: | Pernot, L, Novakovic, I, Westermaier, Y, Perozzo, R, Raic-Malic, S, Scapozza, L. | | Deposit date: | 2013-01-23 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New thymine derivatives as HSV1-TK ligand for the development of PET imaging tracer
To be Published
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