8I7E
 
 | | Crystal structure of Glyceraldehyde 3-phosphate dehydrogenase from Salmonella typhi at 2.05A | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase | | Authors: | Kumar, N, Dilawari, R, Chaubey, G.K, Modanwal, R, Talukdar, S, Dhiman, A, Chaudhary, S, Patidar, A, Kumar, A, Raje, C.I, Raje, M, Kumaran, S. | | Deposit date: | 2023-01-31 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of Glyceraldehyde 3-phosphate dehydrogenase from Salmonella typhi at 2.05A
To Be Published
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6DEH
 | | Structure of LpnE Effector Protein from Legionella pneumophila (sp. Philadelphia) | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Voth, K, Chung, I.Y.W, van Straaten, K.E, Cygler, M. | | Deposit date: | 2018-05-11 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of Legionella effector protein LpnE provides insights into its interaction with Oculocerebrorenal syndrome of Lowe (OCRL) protein.
FEBS J., 286, 2019
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6D8F
 | | RsAgo Ternary Complex with Guide RNA and Target DNA Containing T-T Bulge Within the Seed Segment | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*TP*GP*CP*AP*GP*TP*TP*TP*AP*AP*C)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-26 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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6DAC
 | | Human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Authors: | Sevrioukova, I.F. | | Deposit date: | 2018-05-01 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
Biochemistry, 58, 2019
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6D8A
 | | RsAgo Ternary Complex with guide RNA and Target DNA Containing A-A Bulge Within the Seed Segment of the Target Strand | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*TP*GP*CP*AP*GP*AP*AP*TP*AP*AP*C)-3'), ... | | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | | Deposit date: | 2018-04-26 | | Release date: | 2018-07-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
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6DVZ
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6DBH
 | | Crystal structure of PPAR gamma in complex with NMP422 | | Descriptor: | 4-{2-[(2,3-dioxo-1-pentyl-2,3-dihydro-1H-indol-5-yl)sulfanyl]ethyl}benzoic acid, CHLORIDE ION, Peroxisome proliferator-activated receptor gamma | | Authors: | Mou, T.C, Chrisman, I.M, Hughes, T.S, Sprang, S.R. | | Deposit date: | 2018-05-03 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | Crystal structure of PPAR gamma in complex with NMP422
To Be Published
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6DJ1
 | | Wild-type HIV-1 protease in complex with Lopinavir | | Descriptor: | CHLORIDE ION, HIV-1 protease, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, ... | | Authors: | Wang, Y.-F, Wong-Sam, A.E, Zhang, Y, Weber, I.T. | | Deposit date: | 2018-05-24 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
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6DCV
 | | Crystal structure of human anti-tau antibody CBTAU-27.1 | | Descriptor: | GLYCEROL, Light chain of CBTAU27.1 Fab, heavy chain of CBTAU-27.1 Fab | | Authors: | Zhu, X, Zhang, H, Wilson, I.A. | | Deposit date: | 2018-05-08 | | Release date: | 2018-06-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A common antigenic motif recognized by naturally occurring human VH5-51/VL4-1 anti-tau antibodies with distinct functionalities.
Acta Neuropathol Commun, 6, 2018
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6O0T
 | | Crystal structure of selenomethionine labelled tandem SAM domains (L446M:L505M:L523M mutant) from human SARM1 | | Descriptor: | Sterile alpha and TIR motif-containing protein 1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
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6DJ7
 | | HIV-1 protease with mutation L76V in complex with GRL-5010 (gem-difluoro-bis-tetrahydrofuran as P2 ligand) | | 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, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wong-Sam, A.E, Wang, Y.F, Weber, I.T. | | Deposit date: | 2018-05-24 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
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4CVA
 | | MPS1 kinase with 3-aminopyridin-2-one inhibitors | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | | Authors: | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | | Deposit date: | 2014-03-24 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition
To be Published
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4CV8
 | | MPS1 kinase with 3-aminopyridin-2-one inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one, DUAL SPECIFICITY PROTEIN KINASE TTK | | Authors: | Fearon, D, Bavetsias, V, Bayliss, R, Schmitt, J, Westwood, I.M, vanMontfort, R.L.M, Jones, K. | | Deposit date: | 2014-03-24 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Protein Kinase Selectivity of a 3-Aminopyridin-2- One Based Fragment Library, Identification of 3-Amino-5-(Pyridin-4-Yl)Pyridin-2(1H)-One as a Novel Scaffold for Mps1 Inhibition
To be Published
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4D09
 | | PDE2a catalytic domain in complex with a brain penetrant inhibitor | | Descriptor: | CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, MAGNESIUM ION, ... | | Authors: | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | | Deposit date: | 2014-04-24 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
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4CU2
 | | C-terminal domain of CTP1L endolysin mutant V195P that reduces autoproteolysis | | Descriptor: | ENDOLYSIN | | Authors: | Dunne, M, Mertens, H.D.T, Garefalaki, V, Jeffries, C.M, Thompson, A, Lemke, E.A, Svergun, D.I, Mayer, M.J, Narbad, A, Meijers, R. | | Deposit date: | 2014-03-16 | | Release date: | 2014-08-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The Cd27L and Ctp1L Endolysins Targeting Clostridia Contain a Built-in Trigger and Release Factor.
Plos Pathog., 10, 2014
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4WO4
 | | The molecular bases of Delta/Alpha beta T cell-mediated antigen recognition. | | Descriptor: | (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 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: | Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I. | | Deposit date: | 2014-10-15 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
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9CYR
 | | Crystal structure of D245G mutant human PTP1B (PTPN1) at room temperature (298 K) | | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | | Deposit date: | 2024-08-02 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
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9EQ7
 | | Halobacterium salinarum archaellum filament | | Descriptor: | 2-O-sulfo-beta-D-glucopyranuronic acid-(1-4)-3-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose, Archaellin | | Authors: | Grossman-Haham, I, Shahar, A. | | Deposit date: | 2024-03-21 | | Release date: | 2024-07-17 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Perturbed N-glycosylation of Halobacterium salinarum archaellum filaments leads to filament bundling and compromised cell motility.
Nat Commun, 15, 2024
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9COJ
 | | SH3-like tandem domain of human KIN protein | | Descriptor: | DNA/RNA-binding protein KIN17 | | Authors: | de Lourenco, I.O, Fossey, M.A, Souza, F.P, Seixas, F.A.V, Fernandez, M.A, Almeida, F.C.L, Caruso, I.P. | | Deposit date: | 2024-07-16 | | Release date: | 2024-07-31 | | Method: | SOLUTION NMR | | Cite: | Solution structure of SH3-like tandem domain of human KIN protein and its interaction with RNA homo-oligonucleotides
To Be Published
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9CYP
 | | Crystal structure of I19V mutant human PTP1B (PTPN1) at room temperature (298 K) | | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | | Deposit date: | 2024-08-02 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
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9CYO
 | | Crystal structure of wild-type human PTP1B (PTPN1) at room temperature (298 K) | | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | | Deposit date: | 2024-08-02 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
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9CYQ
 | | Crystal structure of Q78R mutant human PTP1B (PTPN1) at room temperature (298 K) | | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | | Deposit date: | 2024-08-02 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy.
Biorxiv, 2024
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4W9H
 | | pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-acetamido-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 7) | | Descriptor: | N-acetyl-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A. | | Deposit date: | 2014-08-27 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
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4MBR
 | | 3.65 Angstrom Crystal Structure of Serine-rich Repeat Protein (Srr2) from Streptococcus agalactiae | | Descriptor: | Serine-rich repeat protein 2 | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Seo, H.S, Seepersaud, R, Doran, K.S, Iverson, T.M, Sullam, P.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-08-19 | | Release date: | 2013-11-06 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | Characterization of Fibrinogen Binding by Glycoproteins Srr1 and Srr2 of Streptococcus agalactiae.
J.Biol.Chem., 288, 2013
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3EQ8
 | | Prolyl oligopeptidase complexed with R-Pro-(decarboxy-Pro)-Type inhibitors | | Descriptor: | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one, Prolyl endopeptidase | | Authors: | Kanai, K, Aranyi, P, Bocskei, Z, Ferenczy, G, Harmat, V, Simon, K, Naray-Szabo, G, Hermecz, I. | | Deposit date: | 2008-09-30 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Prolyl oligopeptidase inhibition by N-acyl-pro-pyrrolidine-type molecules
J.Med.Chem., 51, 2008
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