6VJJ
 
 | | Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Tran, T.H, Dharmaiah, S, Simanshu, D.K. | | Deposit date: | 2020-01-16 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
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7BE6
 | | Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159 | | Descriptor: | 1,2-ETHANEDIOL, 5-amino-N-(4-(((2S)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1H-pyrazole-4-carboxamide, Epithelial discoidin domain-containing receptor 1, ... | | Authors: | Pinkas, D.M, Bufton, J.C, Roehm, S, Joerger, A.C, Knapp, S, Bullock, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-22 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87081933 Å) | | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
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6TIL
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5FQL
 | | Insights into Hunter syndrome from the structure of iduronate-2- sulfatase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Demydchuk, M, Hill, C.H, Zhou, A, Bunkoczi, G, Stein, P.E, Marchesan, D, Deane, J.E, Read, R.J. | | Deposit date: | 2015-12-11 | | Release date: | 2017-01-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Insights into Hunter syndrome from the structure of iduronate-2-sulfatase.
Nat Commun, 8, 2017
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7BLO
 | | VPS26 dimer region of metazoan membrane-assembled retromer:SNX3 complex modelled with human proteins | | Descriptor: | 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, C-term (residues 493-54) of Wls (fitted sequence corresponds to hDMT1-II), Sorting nexin-3, ... | | Authors: | Leneva, N, Kovtun, O, Morado, D.R, Briggs, J.A.G, Owen, D.J. | | Deposit date: | 2021-01-18 | | Release date: | 2021-03-03 | | Last modified: | 2021-04-07 | | Method: | ELECTRON MICROSCOPY (9.5 Å) | | Cite: | Architecture and mechanism of metazoan retromer:SNX3 tubular coat assembly.
Sci Adv, 7, 2021
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7LKF
 | | WT Chicken Scap L1-L7 / Fab 4G10 complex focused refinement | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4G10 heavy chain, 4G10 light chain, ... | | Authors: | Kober, D.L, Radhakrishnan, A, Goldstein, J.L, Brown, M.S, Clark, L.D, Bai, X.-C, Rosenbaum, D.M. | | Deposit date: | 2021-02-02 | | Release date: | 2021-06-30 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Scap structures highlight key role for rotation of intertwined luminal loops in cholesterol sensing.
Cell, 184, 2021
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6W46
 | | Valine-Containing Collagen Peptide | | Descriptor: | 1,2-ETHANEDIOL, Collagen-like peptide | | Authors: | Chenoweth, D.M, Melton, S.D. | | Deposit date: | 2020-03-10 | | Release date: | 2020-08-12 | | Last modified: | 2021-07-28 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Rules for the design of aza-glycine stabilized triple-helical collagen peptides.
Chem Sci, 11, 2020
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5NCR
 | | OH1 from the Orf virus: a tyrosine phosphatase that displays distinct structural features and triple substrate specificity | | Descriptor: | PHOSPHATE ION, SULFATE ION, tyrosine phosphatase | | Authors: | Segovia, D, Haouz, A, Berois, M, Villarino, A, Andre-Leroux, G. | | Deposit date: | 2017-03-06 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | OH1 from Orf Virus: A New Tyrosine Phosphatase that Displays Distinct Structural Features and Triple Substrate Specificity.
J. Mol. Biol., 429, 2017
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8U4D
 | | TRPV1 in nanodisc bound with PI-Br4, consensus structure | | Descriptor: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1 | | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | | Deposit date: | 2023-09-10 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
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5J9L
 | | Crystal structure of CPT1691 bound to TAK1-TAB1 | | Descriptor: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide | | Authors: | Gurbani, D, Westover, K.D. | | Deposit date: | 2016-04-10 | | Release date: | 2017-02-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7515 Å) | | Cite: | Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
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6YZ2
 | | Full length Open-form Sodium Channel NavMs F208L | | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | | Authors: | Sula, A, Sait, L.G, Hollingworth, D, Wallace, B.A. | | Deposit date: | 2020-05-06 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cannabidiol interactions with voltage-gated sodium channels.
Elife, 9, 2020
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6TIO
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7BC3
 | | Native virion of Kashmir bee virus at acidic pH | | Descriptor: | Structural polyprotein | | Authors: | Mukhamedova, L, Plevka, P, Fuzik, T, Hrebik, D, Novacek, J. | | Deposit date: | 2020-12-18 | | Release date: | 2021-03-03 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Virion structure and in vitro genome release mechanism of dicistrovirus Kashmir bee virus.
J.Virol., 95, 2021
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8QKB
 | | Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777 | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2023-09-14 | | Release date: | 2023-09-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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6N8I
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7BLQ
 | | Vps26 dimer region of the fungal membrane-assembled retromer:Grd19 complex. | | Descriptor: | 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, Sorting nexin-3, The C-terminal portion of Kex2 cargo, ... | | Authors: | Leneva, N, Kovtun, O, Morado, D.R, Briggs, J.A.G, Owen, D.J. | | Deposit date: | 2021-01-18 | | Release date: | 2021-03-03 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (9.2 Å) | | Cite: | Architecture and mechanism of metazoan retromer:SNX3 tubular coat assembly.
Sci Adv, 7, 2021
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8FU4
 | | HCMV US11 peptide binding to HLA-A*02:01 | | Descriptor: | Beta-2-microglobulin, CADMIUM ION, GLYCEROL, ... | | Authors: | Watson, G.M, Berry, R, Littler, D.R, Rossjohn, J. | | Deposit date: | 2023-01-16 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Diverse cytomegalovirus US11 antagonism and MHC-A evasion strategies reveal a tit-for-tat coevolutionary arms race in hominids.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6PPI
 | | Kaposi's sarcoma-associated herpesvirus (KSHV), C12 portal dodecamer structure | | Descriptor: | Portal protein | | Authors: | Gong, D, Dai, X, Jih, J, Liu, Y.T, Bi, G.Q, Sun, R, Zhou, Z.H. | | Deposit date: | 2019-07-07 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | DNA-Packing Portal and Capsid-Associated Tegument Complexes in the Tumor Herpesvirus KSHV.
Cell, 178, 2019
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6WA8
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6TMN
 | | Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond | | Descriptor: | CALCIUM ION, N-[(2R,4S)-4-hydroxy-2-(2-methylpropyl)-4-oxido-7-oxo-9-phenyl-3,8-dioxa-6-aza-4-phosphanonan-1-oyl]-L-leucine, THERMOLYSIN, ... | | Authors: | Tronrud, D.E, Holden, H.M, Matthews, B.W. | | Deposit date: | 1987-06-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond.
Science, 235, 1987
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6FIT
 | | FHIT-TRANSITION STATE ANALOG | | Descriptor: | ADENOSINE MONOTUNGSTATE, FRAGILE HISTIDINE TRIAD PROTEIN | | Authors: | Lima, C.D, Klein, M.G, Hendrickson, W.A. | | Deposit date: | 1997-09-25 | | Release date: | 1998-03-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
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7ZNY
 | | Cryo-EM structure of the canine distemper virus tetrameric attachment glycoprotein | | Descriptor: | Hemagglutinin glycoprotein | | Authors: | Kalbermatter, D, Jeckelmann, J.-M, Wyss, M, Plattet, P, Fotiadis, D. | | Deposit date: | 2022-04-23 | | Release date: | 2023-02-08 | | Last modified: | 2023-02-15 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structure and supramolecular organization of the canine distemper virus attachment glycoprotein.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6N0D
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ575 | | Descriptor: | 1,2-ETHANEDIOL, 4-fluorobenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-11-07 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.453 Å) | | Cite: | Crystal structure of Tdp1 catalytic domain in complex with compound XZ575
To Be Published
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7OYG
 | | Dimeric form of SARS-CoV-2 RNA-dependent RNA polymerase | | Descriptor: | RNA (5'-R(P*CP*UP*AP*CP*GP*CP*AP*GP*UP*G)-3'), RNA (5'-R(P*UP*GP*CP*AP*CP*UP*GP*CP*GP*UP*AP*G)-3'), SARS-CoV-2 RNA-dependent RNA polymerase (nsp12), ... | | Authors: | Jochheim, F.A, Tegunov, D, Hillen, H.S, Schmitzova, J, Kokic, G, Dienemann, C, Cramer, P. | | Deposit date: | 2021-06-24 | | Release date: | 2021-08-25 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (5.5 Å) | | Cite: | The structure of a dimeric form of SARS-CoV-2 polymerase
Communications Biology, 4, 2021
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7LSA
 | | Ruminococcus bromii Amy12 with maltoheptaose | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Koropatkin, N.M, Cockburn, D.W, Brown, H.A, Kibler, R.D. | | Deposit date: | 2021-02-18 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structure and substrate recognition by the Ruminococcus bromii amylosome pullulanases.
J.Struct.Biol., 213, 2021
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