2WIH
| STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125 | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... | Authors: | Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. | Deposit date: | 2009-05-13 | Release date: | 2009-07-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor. J.Med.Chem., 52, 2009
|
|
2WYG
| Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2009-11-16 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs Bioorg.Med.Chem.Lett., 20, 2010
|
|
2WYJ
| Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1S)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | Deposit date: | 2009-11-16 | Release date: | 2010-12-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs Bioorg.Med.Chem.Lett., 20, 2010
|
|
2VS8
| The crystal structure of I-DmoI in complex with DNA and Mn | Descriptor: | 5'-D(*CP*CP*GP*GP*CP*AP*AP* GP*GP*CP)-3', 5'-D(*CP*GP*CP*GP*CP*CP*GP*GP*AP*AP *CP*TP*TP*AP*C)-3', 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP *GP*TP*AP*A)-3', ... | Authors: | Marcaida, M.J, Prieto, J, Redondo, P, Nadra, A.D, Alibes, A, Serrano, L, Grizot, S, Duchateau, P, Paques, F, Blanco, F.J, Montoya, G. | Deposit date: | 2008-04-21 | Release date: | 2008-11-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of I-Dmoi in Complex with its Target DNA Provides New Insights Into Meganuclease Engineering. Proc.Natl.Acad.Sci.USA, 105, 2008
|
|
2VWE
| Crystal Structure of Vascular Endothelial Growth Factor-B in Complex with a Neutralizing Antibody Fab Fragment | Descriptor: | ANTI-VEGF-B MONOCLONAL ANTIBODY, VASCULAR ENDOTHELIAL GROWTH FACTOR B | Authors: | Leonard, P, Scotney, P.D, Jabeen, T, Iyer, S, Fabri, L.J, Nash, A.D, Acharya, K.R. | Deposit date: | 2008-06-23 | Release date: | 2008-11-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal Structure of Vascular Endothelial Growth Factor-B in Complex with a Neutralising Antibody Fab Fragment. J.Mol.Biol., 384, 2008
|
|
1PB3
| |
1PSZ
| PNEUMOCOCCAL SURFACE ANTIGEN PSAA | Descriptor: | PROTEIN (SURFACE ANTIGEN PSAA), ZINC ION | Authors: | Lawrence, M.C, Pilling, P.A, Epa, V.C, Berry, A.M, Ogunniyi, A.D, Paton, J.C. | Deposit date: | 1998-10-13 | Release date: | 2000-04-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of pneumococcal surface antigen PsaA reveals a metal-binding site and a novel structure for a putative ABC-type binding protein. Structure, 6, 1998
|
|
1PV0
| Structure of the Sda antikinase | Descriptor: | Sda | Authors: | Rowland, S.L, Burkholder, W.F, Maciejewski, M.W, Grossman, A.D, King, G.F. | Deposit date: | 2003-06-26 | Release date: | 2004-04-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and mechanism of Sda: an inhibitor of the histidine kinases that regulate initiation of sporulation in Bacillus subtilis Mol.Cell, 13, 2004
|
|
1RKD
| E. COLI RIBOKINASE COMPLEXED WITH RIBOSE AND ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, RIBOKINASE, ... | Authors: | Sigrell, J.A, Cameron, A.D, Jones, T.A, Mowbray, S.L. | Deposit date: | 1997-11-29 | Release date: | 1998-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure of Escherichia coli ribokinase in complex with ribose and dinucleotide determined to 1.8 A resolution: insights into a new family of kinase structures. Structure, 6, 1998
|
|
5DQC
| Co-crystal of BACE1 with compound 0211 | Descriptor: | Beta-secretase 1, N-[(2S,3R)-3-hydroxy-4-({(2S,3S)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | Authors: | Ghosh, A.K, Bhavanam, S.R, Yen, T.-C, Cardenas, E.L, Rao, K.V, Downs, D, Huang, X, Tang, J, Mescar, A.D. | Deposit date: | 2015-09-14 | Release date: | 2016-02-17 | Last modified: | 2016-07-13 | Method: | X-RAY DIFFRACTION (2.4651 Å) | Cite: | Design of Potent and Highly Selective Inhibitors for Human beta-Secretase 2 (Memapsin 1), a Target for Type 2 Diabetes. Chem Sci, 7, 2016
|
|
1QIN
| HUMAN GLYOXALASE I COMPLEXED WITH S-(N-HYDROXY-N-P-IODOPHENYLCARBAMOYL) GLUTATHIONE | Descriptor: | PROTEIN (LACTOYLGLUTATHIONE LYASE), S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE, ZINC ION | Authors: | Cameron, A.D, Ridderstrom, M, Olin, B, Mannervik, B. | Deposit date: | 1999-06-14 | Release date: | 1999-11-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reaction mechanism of glyoxalase I explored by an X-ray crystallographic analysis of the human enzyme in complex with a transition state analogue. Biochemistry, 38, 1999
|
|
1QIP
| HUMAN GLYOXALASE I COMPLEXED WITH S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE | Descriptor: | BETA-MERCAPTOETHANOL, PROTEIN (LACTOYLGLUTATHIONE LYASE), S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE, ... | Authors: | Cameron, A.D, Ridderstrom, M, Olin, B, Mannervik, B. | Deposit date: | 1999-06-14 | Release date: | 1999-11-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Reaction mechanism of glyoxalase I explored by an X-ray crystallographic analysis of the human enzyme in complex with a transition state analogue. Biochemistry, 38, 1999
|
|
1PB1
| |
6SCT
| Cryo-EM structure of the consensus triskelion hub of the clathrin coat complex | Descriptor: | Clathrin heavy chain, Clathrin light chain | Authors: | Morris, K.L, Cameron, A.D, Sessions, R, Smith, C.J. | Deposit date: | 2019-07-25 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.69 Å) | Cite: | Cryo-EM of multiple cage architectures reveals a universal mode of clathrin self-assembly. Nat.Struct.Mol.Biol., 26, 2019
|
|
6TFL
| Lsm protein (SmAP) from Halobacterium salinarum | Descriptor: | CALCIUM ION, GLYCEROL, RNA-binding protein Lsm, ... | Authors: | Nikulin, A.D, Fando, M.S, Lekontseva, N.V. | Deposit date: | 2019-11-14 | Release date: | 2020-11-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.397 Å) | Cite: | Structure and RNA-Binding Properties of Lsm Protein from Halobacterium salinarum. Biochemistry Mosc., 86, 2021
|
|
6TIW
| Human kinesin-5 motor domain in the GSK state bound to microtubules (Conformation 2) | Descriptor: | 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one, Kinesin-like protein KIF11, MAGNESIUM ION, ... | Authors: | Pena, A, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M. | Deposit date: | 2019-11-22 | Release date: | 2020-03-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy. Structure, 28, 2020
|
|
6TA4
| Human kinesin-5 motor domain in the AMPPNP state bound to microtubules | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ... | Authors: | Pena, A.P, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M. | Deposit date: | 2019-10-29 | Release date: | 2020-03-04 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy. Structure, 28, 2020
|
|
6T8S
| |
6TA3
| Human kinesin-5 motor domain in the GSK-1 state bound to microtubules (Conformation 1) | Descriptor: | 6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one, Kinesin-like protein KIF11, MAGNESIUM ION, ... | Authors: | Pena, A, Sweeney, A, Cook, A.D, Moores, C.A, Topf, M. | Deposit date: | 2019-10-29 | Release date: | 2020-04-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of Microtubule-Trapped Human Kinesin-5 and Its Mechanism of Inhibition Revealed Using Cryoelectron Microscopy. Structure, 28, 2020
|
|
6RVW
| Structure of right-handed protein cage consisting of 24 eleven-membered ring proteins held together by gold (I) bridges. | Descriptor: | GOLD ION, Transcription attenuation protein MtrB | Authors: | Malay, A.D, Miyazaki, N, Biela, A.P, Iwasaki, K, Heddle, J.G. | Deposit date: | 2019-06-03 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | An ultra-stable gold-coordinated protein cage displaying reversible assembly. Nature, 569, 2019
|
|
6U76
| Structure of methanesulfinate monooxygenase MsuC from Pseudomonas fluorescens. | Descriptor: | methanesulfinate monooxygenase | Authors: | Soule, J, Gnann, A.D, Parker, M.J, McKenna, K.C, Nguyen, S.V, Phan, N.T, Wicht, D.K, Dowling, D.P. | Deposit date: | 2019-08-31 | Release date: | 2020-11-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | To be published To Be Published
|
|
6UMX
| Structural basis for specific inhibition of extracellular activation of pro/latent myostatin by SRK-015 | Descriptor: | GL29H4-16 Fab Heavy Chain,GL29H4-16 Fab Heavy Chain, GL29H4-16 Fab Light Chain,GL29H4-16 Fab Light Chain, GLYCEROL, ... | Authors: | Dagbay, K.B, Treece, E, Streich Jr, F.C, Jackson, J.W, Faucette, R.R, Nikiforov, A, Lin, S.C, Bostion, C.J, Nicholls, S.B, Capili, A.D, Carven, G.J. | Deposit date: | 2019-10-10 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural basis of specific inhibition of extracellular activation of pro- or latent myostatin by the monoclonal antibody SRK-015. J.Biol.Chem., 295, 2020
|
|
6UJ0
| Unbound BACE2 mutant structure | Descriptor: | Beta-secretase 2, unidentified polypeptide | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | Deposit date: | 2019-10-01 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors. Acs Chem Neurosci, 12, 2021
|
|
1WD2
| Solution Structure of the C-terminal RING from a RING-IBR-RING (TRIAD) motif | Descriptor: | Ariadne-1 protein homolog, ZINC ION | Authors: | Capili, A.D, Edghill, E.L, Wu, K, Borden, K.L.B. | Deposit date: | 2004-05-11 | Release date: | 2004-07-20 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the C-terminal RING Finger from a RING-IBR-RING/TRIAD Motif Reveals a Novel Zinc-binding Domain Distinct from a RING J.Mol.Biol., 340, 2004
|
|
1XYX
| mouse prion protein fragment 121-231 | Descriptor: | Major prion protein | Authors: | Gossert, A.D, Bonjour, S, Lysek, D.A, Fiorito, F, Wuthrich, K. | Deposit date: | 2004-11-11 | Release date: | 2004-11-28 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Prion protein NMR structures of elk and of mouse/elk hybrids Proc.Natl.Acad.Sci.USA, 102, 2005
|
|