5M2A
 
 | | Structure of a bacterial light-regulated adenylyl cylcase | | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | | Deposit date: | 2016-10-12 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
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2VO6
 | | Structure of PKA-PKB chimera complexed with 4-(4-Chlorobenzyl)-1-(7H- pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-ylamine | | Descriptor: | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration.
J.Med.Chem., 51, 2008
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2W15
 | | High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | | Descriptor: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, GLYCEROL, ZINC ION, ... | | Authors: | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | | Deposit date: | 2008-10-14 | | Release date: | 2009-06-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding.
Biochemistry, 48, 2009
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5M27
 | | Structure of a bacterial light-regulated adenylyl cylcase | | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | | Deposit date: | 2016-10-12 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase.
J. Mol. Biol., 429, 2017
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6IGU
 | | Crystal structure of the hydrolytic antibody Fab 9C10 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IMMUNOGLOBULIN 9C10 H CHAIN, IMMUNOGLOBULIN 9C10 L CHAIN, ... | | Authors: | Yamaguchi, A, Tada, T, Tsuchiya, Y, Tsumuraya, T, Fujii, I. | | Deposit date: | 2018-09-26 | | Release date: | 2019-10-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of the complex of the hydrolytic antibody Fab 9C10 and a transition-state analog
To Be Published
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6I96
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5IDL
 | | Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT8 | | Authors: | Julien, J.P, Ereno-Orbea, J, Jardine, J.G, Schief, W.R, Wilson, I.A. | | Deposit date: | 2016-02-24 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | HIV-1 broadly neutralizing antibody precursor B cells revealed by germline-targeting immunogen.
Science, 351, 2016
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1KX7
 | | Family of 30 conformers of a mono-heme ferrocytochrome c from Shewanella putrefaciens solved by NMR | | Descriptor: | HEME C, mono-heme c-type cytochrome ScyA | | Authors: | Bartalesi, I, Bertini, I, Hajieva, P, Rosato, A, Vasos, P.R. | | Deposit date: | 2002-01-31 | | Release date: | 2002-02-13 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a monoheme ferrocytochrome c from Shewanella putrefaciens and structural analysis of sequence-similar proteins: functional implications.
Biochemistry, 41, 2002
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6EZW
 | | Crystal structure of a llama VHH antibody BCD090-M2 against human ErbB3 in space group C2 | | Descriptor: | VHH antibody BCD090-M2 | | Authors: | Eliseev, I.E, Yudenko, A.N, Vysochinskaya, V.V, Svirina, A.A, Evstratyeva, A.V, Drozhzhachih, M.S, Krendeleva, E.A, Vladimirova, A.K, Nemankin, T.A, Ekimova, V.M, Ulitin, A.B, Lomovskaya, M.I, Yakovlev, P.A, Moiseenko, F.V, Chakchir, O.B. | | Deposit date: | 2017-11-16 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.59842849 Å) | | Cite: | Crystal structures of a llama VHH antibody BCD090-M2 targeting human ErbB3 receptor.
F1000Res, 7, 2018
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1MOM
 | | CRYSTAL STRUCTURE OF MOMORDIN, A TYPE I RIBOSOME INACTIVATING PROTEIN FROM THE SEEDS OF MOMORDICA CHARANTIA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MOMORDIN | | Authors: | Husain, J, Tickle, I.J, Wood, S.P. | | Deposit date: | 1994-03-04 | | Release date: | 1994-05-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal structure of momordin, a type I ribosome inactivating protein from the seeds of Momordica charantia.
FEBS Lett., 342, 1994
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3H1I
 | | Stigmatellin and antimycin bound cytochrome bc1 complex from chicken | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-7-YL ESTER, CARDIOLIPIN, ... | | Authors: | Zhang, Z, Huang, L, Shulmeister, V.M, Chi, Y.I, Kim, K.K, Hung, L.W, Crofts, A.R, Berry, E.A, Kim, S.H. | | Deposit date: | 2009-04-12 | | Release date: | 2009-04-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.53 Å) | | Cite: | Electron Transfer by Domain Movement in Cytochrome Bc1
Nature, 392, 1998
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5JG1
 | | HIV-1 wild Type protease with GRL-031-14A (a Adamantane P1-Ligand with tetrahydropyrano-tetrahydrofuran in P2 and isobutylamine in P1') | | Descriptor: | (3R,3aS,7aR)-hexahydro-4H-furo[2,3-b]pyran-3-yl {(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]decan-1-yl]butan-2-yl}carbamate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2016-04-19 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Probing Lipophilic Adamantyl Group as the P1-Ligand for HIV-1 Protease Inhibitors: Design, Synthesis, Protein X-ray Structural Studies, and Biological Evaluation.
J.Med.Chem., 59, 2016
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6I58
 | | Allosteric activation of human prekallikrein by apple domain disc rotation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Li, C, Pathak, M, McCrae, K, Dreveny, I, Emsley, J. | | Deposit date: | 2018-11-13 | | Release date: | 2019-03-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J.Thromb.Haemost., 17, 2019
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5IKM
 | | 1.9 Angstrom Crystal Structure of NS5 Methyl Transferase from Dengue Virus 1 in Complex with S-Adenosylmethionine and Beta-D-Fructopyranose. | | Descriptor: | CHLORIDE ION, D-MALATE, GLYCEROL, ... | | Authors: | Minasov, G, Shuvalova, L, Winsor, J, Dubrovska, I, Flores, K, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-03-03 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 Angstrom Crystal Structure of NS5 Methyl Transferase from Dengue Virus 1 in Complex with S-Adenosylmethionine and Beta-D-Fructopyranose.
To Be Published
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4LHM
 | | Thymidine phosphorylase from E.coli with 3'-azido-3'-deoxythymidine | | Descriptor: | 3'-azido-3'-deoxythymidine, GLYCEROL, SULFATE ION, ... | | Authors: | Timofeev, V.I, Abramchik, Y.A, Esipov, R.S, Kuranova, I.P. | | Deposit date: | 2013-07-01 | | Release date: | 2014-04-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | 3'-Azidothymidine in the active site of Escherichia coli thymidine phosphorylase: the peculiarity of the binding on the basis of X-ray study.
Acta Crystallogr.,Sect.D, 70, 2014
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1KQ3
 | | CRYSTAL STRUCTURE OF A GLYCEROL DEHYDROGENASE (TM0423) FROM THERMOTOGA MARITIMA AT 1.5 A RESOLUTION | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ZINC ION, ... | | Authors: | Wilson, I.A, Miller, M.D, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2002-01-03 | | Release date: | 2002-02-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural genomics of the Thermotoga maritima proteome implemented in a high-throughput structure determination pipeline
Proc.Natl.Acad.Sci.USA, 99, 2002
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8B68
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5ICW
 | | Crystal structure of human NatF (hNaa60) homodimer bound to Coenzyme A | | Descriptor: | CHLORIDE ION, COENZYME A, N-alpha-acetyltransferase 60 | | Authors: | Stove, S.I, Magin, R.S, Marmorstein, R, Arnesen, T. | | Deposit date: | 2016-02-23 | | Release date: | 2016-06-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Crystal Structure of the Golgi-Associated Human N alpha-Acetyltransferase 60 Reveals the Molecular Determinants for Substrate-Specific Acetylation.
Structure, 24, 2016
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8BR5
 | | Discovery of IRAK4 Inhibitor 41 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-11-22 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8B6D
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2J5V
 | | GLUTAMATE 5-KINASE FROM ESCHERICHIA COLI COMPLEXED WITH GLUTAMYL-5-PHOSPHATE AND PYROGLUTAMIC ACID | | Descriptor: | GAMMA-GLUTAMYL PHOSPHATE, GLUTAMATE 5-KINASE, MAGNESIUM ION, ... | | Authors: | Marco-Marin, C, Gil-Ortiz, F, Perez-Arellano, I, Cervera, J, Fita, I, Rubio, V. | | Deposit date: | 2006-09-19 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Novel Two-Domain Architecture within the Amino Acid Kinase Enzyme Family Revealed by the Crystal Structure of Escherichia Coli Glutamate 5-Kinase.
J.Mol.Biol., 367, 2007
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3ESO
 | | Human transthyretin (TTR) complexed with N-(3,5-Dibromo-4-hydroxyphenyl)-2,5-dichlorobenzamide | | Descriptor: | 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide, Transthyretin | | Authors: | Connelly, S, Wilson, I.A. | | Deposit date: | 2008-10-06 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Toward optimization of the second aryl substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.
J.Med.Chem., 52, 2009
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3ES6
 | | Crystal structure of the novel complex formed between Zinc 2-glycoprotein (ZAG) and Prolactin inducible protein (PIP) from human seminal plasma | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Hassan, M.I, Bilgrami, S, Kumar, V, Singh, N, Yadav, S, Kaur, P, Singh, T.P. | | Deposit date: | 2008-10-04 | | Release date: | 2008-10-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.23 Å) | | Cite: | Crystal structure of the novel complex formed between zinc alpha2-glycoprotein (ZAG) and prolactin-inducible protein (PIP) from human seminal plasma
J.Mol.Biol., 384, 2008
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5LP5
 | | Complex between Penicillin-Binding Protein (PBP2) and MreC from Helicobacter pylori | | Descriptor: | Penicillin-binding protein 2 (Pbp2), Rod shape-determining protein (MreC) | | Authors: | Contreras-Martel, C, Martins, A, Ecobichon, C, Maragno, D.M, Mattei, P.J, El Ghachi, M, Hicham, S, Hardouin, P, Boneca, I.G, Dessen, A. | | Deposit date: | 2016-08-11 | | Release date: | 2017-08-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Molecular architecture of the PBP2-MreC core bacterial cell wall synthesis complex.
Nat Commun, 8, 2017
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6I2T
 | | CryoEM reconstruction of full-length, fully-glycosylated human butyrylcholinesterase tetramer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, lamellipodin-derived polyproline peptide | | Authors: | Leung, M.R, van Bezouwen, L.S, Schopfer, L.M, Sussman, J.L, Silman, I, Lockridge, O, Zeev-Ben-Mordehai, T. | | Deposit date: | 2018-11-01 | | Release date: | 2018-12-19 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | Cryo-EM structure of the native butyrylcholinesterase tetramer reveals a dimer of dimers stabilized by a superhelical assembly.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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