2VH6
 
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with biaryl P4 motifs | | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN | | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Chung, C.W, Convery, M.A, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A.N, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E. | | Deposit date: | 2007-11-19 | | Release date: | 2008-12-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Biaryl P4 Motifs.
Bioorg.Med.Chem.Lett., 18, 2008
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2V9G
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7RYP
 | | Cryo-EM structure of KIFBP:KIF15 | | Descriptor: | KIF-binding protein, Kinesin-like protein KIF15 | | Authors: | Solon, A.L, Tan, Z, Schutt, K.L, Jepsen, L, Haynes, S.E, Nesvizhskii, A.I, Sept, D, Stumpff, J, Ohi, R, Cianfrocco, M.A. | | Deposit date: | 2021-08-25 | | Release date: | 2021-09-08 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Kinesin-binding protein remodels the kinesin motor to prevent microtubule binding.
Sci Adv, 7, 2021
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6TGU
 | | Crystal structure of human protein kinase CK2alpha'(CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor Cl-OH-3 | | Descriptor: | 1,2-ETHANEDIOL, 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid, Casein kinase II subunit alpha' | | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | | Deposit date: | 2019-11-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (0.833 Å) | | Cite: | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
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2V9E
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2VKF
 | | COMPLEXES OF DODECIN WITH FLAVIN AND FLAVIN-LIKE LIGANDS | | Descriptor: | 2'-deoxy-5'-O-{[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]carbamoyl}guanosine, CHLORIDE ION, DODECIN, ... | | Authors: | Grininger, M, Noell, G, Trawoeger, S, Sinner, E, Oesterhelt, D. | | Deposit date: | 2007-12-19 | | Release date: | 2008-09-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Electrochemical Switching of the Flavoprotein Dodecin at Gold Surfaces Modified by Flavin-DNA Hybrid Linkers
Biointerphases, 3, 2008
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2V2A
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6TBE
 | | LC3A in complex with (3R,4S,5R,6R)-5-hydroxy-6-((4-hydroxy-3-(4-hydroxy-3-isopentylbenzamido)-8-methyl-2-oxo-2H-chromen-7-yl)oxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate | | Descriptor: | 1,2-ETHANEDIOL, Microtubule-associated proteins 1A/1B light chain 3A, NOVOBIOCIN | | Authors: | Kramer, J.S, Pogoryelov, D, Hartmann, M, Chaikuad, A, Proschak, E. | | Deposit date: | 2019-11-01 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67008042 Å) | | Cite: | Demonstrating Ligandability of the LC3A and LC3B Adapter Interface.
J.Med.Chem., 64, 2021
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2VNM
 | | Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(1,1-dioxido-1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | | Authors: | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, East, P, Hawkins, J, Howes, C, Hussain, I, Jeffrey, P, Maile, G, Matico, R, Mosley, J, Naylor, A, OBrien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | | Deposit date: | 2008-02-05 | | Release date: | 2008-05-20 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Second Generation of Hydroxyethylamine Bace-1 Inhibitors: Optimizing Potency and Oral Bioavailability.
J.Med.Chem., 51, 2008
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2VAL
 | | Crystal structure of an Escherichia coli tRNAGly microhelix at 2.0 Angstrom resolution | | Descriptor: | 5'-R(*GP*CP*GP*GP*GP*AP*AP)-3', 5'-R(*UP*UP*CP*CP*CP*GP*CP)-3', MAGNESIUM ION | | Authors: | Forster, C, Brauer, A.B.E, Perbandt, M, Lehmann, D, Furste, J.P, Betzel, C, Erdmann, V.A. | | Deposit date: | 2007-09-03 | | Release date: | 2007-10-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of an Escherichia Coli Trnagly Microhelix at 2.0 Angstrom Resolution
Biochem.Biophys.Res.Commun., 363, 2007
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7S6O
 | | The crystal structure of Lys48-linked di-ubiquitin | | Descriptor: | ACETATE ION, Ubiquitin | | Authors: | Osipiuk, J, Tesar, C, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A. | | Deposit date: | 2021-09-14 | | Release date: | 2021-09-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
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2V1S
 | | CRYSTAL STRUCTURE OF RAT TOM20-ALDH PRESEQUENCE COMPLEX | | Descriptor: | ALDEHYDE DEHYDROGENASE, MITOCHONDRIAL IMPORT RECEPTOR SUBUNIT TOM20 HOMOLOG | | Authors: | Obita, T, Igura, M, Ose, T, Endo, T, Maenaka, K, Kohda, D. | | Deposit date: | 2007-05-29 | | Release date: | 2007-06-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Tom20 Recognizes Mitochondrial Presequences Through Dynamic Equilibrium Among Multiple Bound States.
Embo J., 26, 2007
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6TPT
 | | Crystal structures of FNIII domain three and four of the human leucocyte common antigen-related protein, LAR | | Descriptor: | Receptor-type tyrosine-protein phosphatase F | | Authors: | Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D. | | Deposit date: | 2019-12-14 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal and solution structures of fragments of the human leucocyte common antigen-related protein.
Acta Crystallogr D Struct Biol, 76, 2020
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2VIO
 | | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | | Descriptor: | 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid, ACETATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | | Authors: | Frederickson, M, Callaghan, O, Chessari, G, Congreve, M, Cowan, S.R, Matthews, J.E, McMenamin, R, Smith, D, Vinkovic, M, Wallis, N.G. | | Deposit date: | 2007-12-05 | | Release date: | 2008-01-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
J.Med.Chem., 51, 2008
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2UW3
 | | Structure of PKA-PKB chimera complexed with 5-methyl-4-phenyl-1H- pyrazole | | Descriptor: | 3-METHYL-4-PHENYL-1H-PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | | Deposit date: | 2007-03-19 | | Release date: | 2007-05-08 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery
J.Med.Chem., 50, 2007
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2VIT
 | | INFLUENZA VIRUS HEMAGGLUTININ, MUTANT WITH THR 155 REPLACED BY ILE, COMPLEXED WITH A NEUTRALIZING ANTIBODY | | Descriptor: | HEMAGGLUTININ, IMMUNOGLOBULIN (IGG1, LAMBDA), ... | | Authors: | Bizebard, T, Fleury, D, Gigant, B, Wharton, S.A, Skehel, J.J, Knossow, M. | | Deposit date: | 1997-12-22 | | Release date: | 1998-04-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Antigen distortion allows influenza virus to escape neutralization.
Nat.Struct.Biol., 5, 1998
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7RTM
 | | Cryo-EM Structure of the Sodium-driven Chloride/Bicarbonate Exchanger NDCBE (SLC4A8) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Wang, W.G, Tsirulnikov, K, Zhekova, H, Kayik, G, Muhammad-Khan, H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Zhou, Z.H, Pushkin, A, Kurtz, I. | | Deposit date: | 2021-08-13 | | Release date: | 2021-09-29 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of the sodium-driven chloride/bicarbonate exchanger NDCBE.
Nat Commun, 12, 2021
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6TT9
 | | rTBL Recombinant Lectin From Tepary Bean | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, HEXANE, ... | | Authors: | Martinez Alarcon, D, Varrot, A. | | Deposit date: | 2019-12-26 | | Release date: | 2020-05-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Recombinant Lectin from Tepary Bean (Phaseolus acutifolius) with Specific Recognition for Cancer-Associated Glycans: Production, Structural Characterization, and Target Identification.
Biomolecules, 10, 2020
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2VLO
 | | K97A mutant of E9 DNase domain in complex with Im9 | | Descriptor: | COLICIN E9, COLICIN-E9 IMMUNITY PROTEIN, SULFATE ION | | Authors: | Keeble, A.H, Joachimiak, L.A, Mate, M.J, Meenan, N, Kirkpatrick, N, Baker, D, Kleanthous, C. | | Deposit date: | 2008-01-15 | | Release date: | 2008-05-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Experimental and Computational Analyses of the Energetic Basis for Dual Recognition of Immunity Proteins by Colicin Endonucleases.
J.Mol.Biol., 379, 2008
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2VKR
 | | 3Fe-4S, 4Fe-4S plus Zn Acidianus ambivalens ferredoxin | | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ZINC ION, ... | | Authors: | Frazao, C, Aragao, D, Coelho, R, Leal, S.S, Gomes, C.M, Teixeira, M, Carrondo, M.A. | | Deposit date: | 2007-12-23 | | Release date: | 2008-03-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Crystallographic analysis of the intact metal centres [3Fe-4S](1+/0) and [4Fe-4S](2+/1+) in a Zn(2+) -containing ferredoxin.
FEBS Lett., 582, 2008
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2VB5
 | | Solution structure of W60G mutant of human beta2-microglobulin | | Descriptor: | BETA-2-MICROGLOBULIN | | Authors: | Esposito, G, Corazza, A, Rennella, E, Gumral, D, Mimmi, M.C, Fogolari, F, Viglino, P, Raimondi, S, Giorgetti, S, Bolognesi, B, Merlini, G, Stoppini, M, Bellotti, V. | | Deposit date: | 2007-09-06 | | Release date: | 2007-09-25 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | The Controlling Roles of Trp60 and Trp95 in Beta2-Microglobulin Function, Folding and Amyloid Aggregation Properties.
J.Mol.Biol., 378, 2008
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2V1Y
 | | Structure of a phosphoinositide 3-kinase alpha adaptor-binding domain (ABD) in a complex with the iSH2 domain from p85 alpha | | Descriptor: | PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY SUBUNIT ALPHA, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM | | Authors: | Miled, N, Yan, Y, Hon, W.C, Perisic, O, Zvelebil, M, Inbar, Y, Schneidman-Duhovny, D, Wolfson, H.J, Backer, J.M, Williams, R.L. | | Deposit date: | 2007-05-30 | | Release date: | 2007-07-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mechanism of Two Classes of Cancer Mutations in the Phosphoinositide 3-Kinase Catalytic Subunit.
Science, 317, 2007
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2VD6
 | | Human adenylosuccinate lyase in complex with its substrate N6-(1,2- Dicarboxyethyl)-AMP, and its products AMP and fumarate. | | Descriptor: | 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, ... | | Authors: | Stenmark, P, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-09-30 | | Release date: | 2007-10-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human Adenylosuccinate Lyase in Complex with its Substrate N6-(1,2-Dicarboxyethyl)-AMP, and its Products AMP and Fumarate.
To be Published
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7RTB
 | | Peptide-19 bound to the Glucagon-Like Peptide-1 Receptor (GLP-1R) | | Descriptor: | Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Johnson, R.M, Danev, R, Sexton, P.M, Wootten, D. | | Deposit date: | 2021-08-12 | | Release date: | 2021-10-06 | | Method: | ELECTRON MICROSCOPY (2.14 Å) | | Cite: | Cryo-EM structure of the dual incretin receptor agonist, peptide-19, in complex with the glucagon-like peptide-1 receptor.
Biochem.Biophys.Res.Commun., 578, 2021
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2VHX
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