6DL0
 
 | | Crystal structure of pohlianin C, an orbitide from Jatropha pohliana | | Descriptor: | pohlianin C | | Authors: | Wang, C.K, King, G.J, Ramalho, S.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-11-07 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
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7RIA
 | | Griffithsin variant Y28A/Y68A/Y110A | | Descriptor: | Griffithsin, SULFATE ION, alpha-D-mannopyranose | | Authors: | Zhao, G, Sun, J, Bewley, C.A. | | Deposit date: | 2021-07-19 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
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4XYF
 | | Crystal structure of c-Met in complex with (S)-5-(8-fluoro-3-(1-(3-(2-methoxyethoxy)quinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole | | Descriptor: | 6-{(1S)-1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl}-3-(2-methoxyethoxy)quinoline, Hepatocyte growth factor receptor | | Authors: | Whittington, D.A, Long, A.M. | | Deposit date: | 2015-02-02 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of Potent and Selective 8-Fluorotriazolopyridine c-Met Inhibitors.
J.Med.Chem., 58, 2015
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2VRS
 | | Structure of avian reovirus sigmaC117-326, C2 crystal form | | Descriptor: | CHLORIDE ION, GLYCEROL, SIGMA-C CAPSID PROTEIN, ... | | Authors: | Guardado-Calvo, P, Fox, G.C, Llamas-Saiz, A.L, Benavente, J, van Raaij, M.J. | | Deposit date: | 2008-04-14 | | Release date: | 2009-01-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystallographic structure of the alpha-helical triple coiled-coil domain of avian reovirus S1133 fibre.
J. Gen. Virol., 90, 2009
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6EE7
 | | Small tetraheme cytochrome c from Shewanella oneidensis | | Descriptor: | HEME C, Periplasmic tetraheme cytochrome c CctA, ZINC ION | | Authors: | Huang, J, Zarzycki, J, Ducat, D.C, Kramer, D.M. | | Deposit date: | 2018-08-13 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.394 Å) | | Cite: | Mesoscopic to Macroscopic Electron Transfer by Hopping in a Crystal Network of Cytochromes.
J.Am.Chem.Soc., 142, 2020
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5E6O
 | | Crystal structure of C. elegans LGG-2 bound to an AIM/LIR motif | | Descriptor: | Protein lgg-2, TRP-GLU-GLU-LEU | | Authors: | Qi, X, Ren, J.Q, Wu, F, Zhang, H, Feng, W. | | Deposit date: | 2015-10-10 | | Release date: | 2016-01-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy
Mol.Cell, 60, 2015
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1LC1
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5EDE
 | | human PDE10A in complex with 1-(4-Chloro-phenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide at 2.2A | | Descriptor: | 1-(4-chlorophenyl)-3-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Joseph, C, Rudolph, M.G. | | Deposit date: | 2015-10-21 | | Release date: | 2016-03-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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3G2V
 | | VHS Domain of human GGA1 complexed with Sotilin C-terminal Phosphopeptide | | Descriptor: | ADP-ribosylation factor-binding protein GGA1, C-terminal fragment of Sortilin, IODIDE ION | | Authors: | Cramer, J.F, Behrens, M.A, Gustafsen, C, Oliveira, C.L.P, Pedersen, J.S, Madsen, P, Petersen, C.M, Thirup, S.S. | | Deposit date: | 2009-02-01 | | Release date: | 2009-12-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | GGA autoinhibition revisited
Traffic, 11, 2010
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6CZQ
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1YRM
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3FIB
 | | RECOMBINANT HUMAN GAMMA-FIBRINOGEN CARBOXYL TERMINAL FRAGMENT (RESIDUES 143-411) BOUND TO CALCIUM AT PH 6.0: A FURTHER REFINEMENT OF PDB ENTRY 1FIB, AND DIFFERS FROM 1FIB BY THE MODELLING OF A CIS PEPTIDE BOND BETWEEN RESIDUES K338 AND C339 | | Descriptor: | CALCIUM ION, FIBRINOGEN GAMMA CHAIN RESIDUES | | Authors: | Pratt, K.P, Cote, H.C.F, Chung, D.W, Stenkamp, R.E, Davie, E.W. | | Deposit date: | 1997-07-14 | | Release date: | 1997-09-17 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The primary fibrin polymerization pocket: three-dimensional structure of a 30-kDa C-terminal gamma chain fragment complexed with the peptide Gly-Pro-Arg-Pro.
Proc.Natl.Acad.Sci.USA, 94, 1997
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2XLD
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2XLE
 | | Cytochrome c prime from Alcaligenes xylosoxidans: Ferrous R124K variant with bound NO | | Descriptor: | CYTOCHROME C', HEME C, NITRIC OXIDE, ... | | Authors: | Hough, M.A, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2010-07-20 | | Release date: | 2010-11-10 | | Last modified: | 2020-03-11 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Distal-to-Proximal No Conversion in Hemoproteins: The Role of the Proximal Pocket.
J.Mol.Biol., 405, 2011
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4NWK
 | | Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide | | Descriptor: | GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ... | | Authors: | Muckelbauer, J.K, Klei, H.E. | | Deposit date: | 2013-12-06 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
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2XLW
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2XM4
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2XM0
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3G2S
 | | VHS Domain of human GGA1 complexed with SorLA C-terminal Peptide | | Descriptor: | ADP-ribosylation factor-binding protein GGA1, C-terminal fragment of Sortilin-related receptor, HEXANE-1,6-DIOL | | Authors: | Cramer, J.F, Behrens, M.A, Gustafsen, C, Oliveira, C.L.P, Pedersen, J.S, Madsen, P, Petersen, C.M, Thirup, S.S. | | Deposit date: | 2009-02-01 | | Release date: | 2009-12-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | GGA autoinhibition revisited
Traffic, 11, 2010
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3G2U
 | | VHS Domain of human GGA1 complexed with Sotilin C-terminal Peptide | | Descriptor: | ADP-ribosylation factor-binding protein GGA1, C-terminal fragment of Sortilin, IODIDE ION | | Authors: | Cramer, J.F, Behrens, M.A, Gustafsen, C, Oliveira, C.L.P, Pedersen, J.S, Madsen, P, Petersen, C.M, Thirup, S.S. | | Deposit date: | 2009-02-01 | | Release date: | 2009-12-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | GGA autoinhibition revisited
Traffic, 11, 2010
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1LC2
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8U1J
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3ZYU
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with I-BET151(GSK1210151A) | | Descriptor: | 1,2-ETHANEDIOL, 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, BROMODOMAIN-CONTAINING PROTEIN 4 | | Authors: | Chung, C.W, Mirguet, O. | | Deposit date: | 2011-08-25 | | Release date: | 2011-11-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inhibition of Bet Recruitment to Chromatin as an Effective Treatment for Mll-Fusion Leukaemia.
Nature, 478, 2011
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7EBL
 | | Bacterial STING in complex with c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), STING | | Authors: | Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | | Deposit date: | 2021-03-10 | | Release date: | 2021-09-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Crystal structure and functional implication of bacterial STING.
Nat Commun, 13, 2022
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7EBD
 | | Bacterial STING in complex with c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), ACETATE ION, TIR-like domain-containing protein | | Authors: | Ko, T.-P, Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y. | | Deposit date: | 2021-03-09 | | Release date: | 2021-09-15 | | Last modified: | 2022-01-19 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure and functional implication of bacterial STING.
Nat Commun, 13, 2022
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