3BW7
 
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2D41
 | | X-ray crystal structure of hepatitis C virus RNA-dependent RNA polymerase in complex with non-nucleoside inhibitor | | Descriptor: | 5'-ACETYL-4-{[(2,4-DIMETHYLPHENYL)SULFONYL]AMINO}-2,2'-BITHIOPHENE-5-CARBOXYLIC ACID, polyprotein | | Authors: | Biswal, B.K, Wang, M, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bilimoria, D, Bedard, J, James, M.N.G. | | Deposit date: | 2005-10-05 | | Release date: | 2006-08-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Non-nucleoside Inhibitors Binding to Hepatitis C Virus NS5B Polymerase Reveal a Novel Mechanism of Inhibition
J.Mol.Biol., 361, 2006
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2V8V
 | | Crystal structure of mutant R322A of beta-alanine synthase from Saccharomyces kluyveri | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-ALANINE SYNTHASE, N-(AMINOCARBONYL)-BETA-ALANINE, ... | | Authors: | Lundgren, S, Andersen, B, Piskur, J, Dobritzsch, D. | | Deposit date: | 2007-08-15 | | Release date: | 2007-10-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Yeast -Alanine Synthase Complexes Reveal the Mode of Substrate Binding and Large Scale Domain Closure Movements.
J.Biol.Chem., 282, 2007
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5VZ3
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3C9J
 | | The Crystal structure of Transmembrane domain of M2 protein and Amantadine complex | | Descriptor: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, Proton Channel protein M2, transmembrane segment | | Authors: | Stouffer, A.L, Acharya, R, Salom, D. | | Deposit date: | 2008-02-15 | | Release date: | 2008-03-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis for the function and inhibition of an influenza virus proton channel
Nature, 451, 2008
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2BAO
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4BVV
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, APOLIPOPROTEIN(A), SULFATE ION | | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | Deposit date: | 2013-06-28 | | Release date: | 2014-07-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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3C0P
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2BAU
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1PTT
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1PTV
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3C8B
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5TCO
 | | Human p38 MAP Kinase in Complex with Dibenzosuberone Compound 1 | | Descriptor: | 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-5,6-dihydrodibenzo[1,2-~{d}:1',2'-~{f}][7]annulene-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Mayer-Wrangowski, S.C, Rauh, D. | | Deposit date: | 2016-09-15 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Optimized Target Residence Time: Type I1/2 Inhibitors for p38 alpha MAP Kinase with Improved Binding Kinetics through Direct Interaction with the R-Spine.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4BVW
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | Descriptor: | 1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid, 1,2-ETHANEDIOL, APOLIPOPROTEIN(A), ... | | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | Deposit date: | 2013-06-28 | | Release date: | 2014-07-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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2ZM2
 | | Structure of 6-aminohexanoate-dimer hydrolase, A61V/A124V/R187S/F264C/G291R/G338A/D370Y mutant (Hyb-S4M94) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | | Authors: | Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Nego, S. | | Deposit date: | 2008-04-10 | | Release date: | 2009-04-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Two alternative modes for optimizing nylon-6 byproduct hydrolytic activity from a carboxylesterase with a beta-lactamase fold: X-ray crystallographic analysis of directly evolved 6-aminohexanoate-dimer hydrolase.
Protein Sci., 18, 2009
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2ZVO
 | | NEMO CoZi domain in complex with diubiquitin in C2 space group | | Descriptor: | NF-kappa-B essential modulator, UBC protein | | Authors: | Rahighi, S, Ikeda, F, Kawasaki, M, Akutsu, M, Suzuki, N, Kato, R, Kensche, T, Uejima, T, Bloor, S, Komander, D, Randow, F, Wakatsuki, S, Dikic, I. | | Deposit date: | 2008-11-12 | | Release date: | 2009-03-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Specific recognition of linear ubiquitin chains by NEMO is important for NF-kappaB activation
Cell(Cambridge,Mass.), 136, 2009
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2AJJ
 | | NMR structure of the in-plane membrane anchor domain [1-28] of the monotopic Non Structural Protein 5A (NS5A) of Bovine Viral Diarrhea Virus (BVDV) | | Descriptor: | Nonstructural protein 5A | | Authors: | Sapay, N, Montserret, R, Chipot, C, Brass, V, Moradpour, D, Deleage, G, Penin, F. | | Deposit date: | 2005-08-02 | | Release date: | 2005-08-23 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | NMR structure and molecular dynamics of the in-plane membrane anchor of nonstructural protein 5A from bovine viral diarrhea virus.
Biochemistry, 45, 2006
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2BD1
 | | A possible role of the second calcium ion in interfacial binding: Atomic and medium resolution crystal structures of the quadruple mutant of phospholipase A2 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Phospholipase A2 | | Authors: | Sekar, K, Velmurugan, D, Tsai, M.D. | | Deposit date: | 2005-10-19 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Suggestive evidence for the involvement of the second calcium and surface loop in interfacial binding: monoclinic and trigonal crystal structures of a quadruple mutant of phospholipase A(2).
Acta Crystallogr.,Sect.D, 62, 2006
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4CAS
 | | Serial femtosecond crystallography structure of a photosynthetic reaction center | | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | | Authors: | Johansson, L.C, Arnlund, D, Katona, G, White, T.A, Barty, A, DePonte, D.P, Shoeman, R.L, Wickstrand, C, Sharma, A, Williams, G.J, Aquila, A, Bogan, M.J, Caleman, C, Davidsson, J, Doak, R.B, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Kassemeyer, S, Kirian, R.A, Kupitz, C, Liang, M, Lomb, L, Malmerberg, E, Martin, A.V, Messerschmidt, M, Nass, K, Redecke, L, Seibert, M.M, Sjohamn, J, Steinbrener, J, Stellato, F, Wang, D, Wahlgren, W.Y, Weierstall, U, Westenhoff, S, Zatsepin, N.A, Boutet, S, Spence, J.C.H, Schlichting, I, Chapman, H.N, Fromme, P, Neutze, R. | | Deposit date: | 2013-10-09 | | Release date: | 2013-12-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of a photosynthetic reaction centre determined by serial femtosecond crystallography.
Nat Commun, 4, 2013
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2BDJ
 | | Src kinase in complex with inhibitor AP23464 | | Descriptor: | 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Dalgarno, D, Stehle, T, Schelling, P, Narula, S, Sawyer, T. | | Deposit date: | 2005-10-20 | | Release date: | 2006-10-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
Chem.Biol.Drug Des., 67, 2006
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8BFU
 | | Crystal structure of the apo p110alpha catalytic subunit from homo sapiens | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L. | | Deposit date: | 2022-10-26 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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2ZM0
 | | Structure of 6-aminohexanoate-dimer hydrolase, G181D/H266N/D370Y mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... | | Authors: | Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Nego, S. | | Deposit date: | 2008-04-10 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold.
Febs J., 276, 2009
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2VX0
 | | ephB4 kinase domain inhibitor complex | | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G. | | Deposit date: | 2008-06-30 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
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2CZS
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2VRN
 | | The structure of the stress response protein DR1199 from Deinococcus radiodurans: a member of the DJ-1 superfamily | | Descriptor: | MAGNESIUM ION, PROTEASE I | | Authors: | Fioravanti, E, Dura, M.A, Lascoux, D, Micossi, E, McSweeney, S. | | Deposit date: | 2008-04-09 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of the stress response protein DR1199 from Deinococcus radiodurans: a member of the DJ-1 superfamily.
Biochemistry, 47, 2008
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