4IBL
 
 | | Rubidium Sites in Blood Coagulation Factor VIIa | | Descriptor: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Vadivel, K, Schmidt, A, Cascio, D, Padmanabhan, K, Bajaj, S.P. | | Deposit date: | 2012-12-08 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of human factor VIIa-soluble tissue factor with calcium, magnesium and rubidium
Acta Crystallogr.,Sect.D, D77, 2021
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3EI4
 | | Structure of the hsDDB1-hsDDB2 complex | | Descriptor: | DNA damage-binding protein 1, DNA damage-binding protein 2 | | Authors: | Scrima, A, Pavletich, N.P, Thoma, N.H. | | Deposit date: | 2008-09-15 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008
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2I9H
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4QUA
 | | Caspase-3 Y195F | | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | | Authors: | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | Deposit date: | 2014-07-10 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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6IFF
 | | Crystal structure of M1 zinc metallopeptidase E323A mutant from Deinococcus radiodurans | | Descriptor: | SODIUM ION, TYROSINE, ZINC ION, ... | | Authors: | Agrawal, R, Kumar, A, Kumar, A, Gaur, N.K, Makde, R.D. | | Deposit date: | 2018-09-20 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
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2HVP
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3EL7
 | | Crystal structure of c-Src in complex with pyrazolopyrimidine 3 | | Descriptor: | 1-{3-[(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Dar, A.C, Lopez, M.S, Shokat, K.M. | | Deposit date: | 2008-09-20 | | Release date: | 2008-10-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Small molecule recognition of c-Src via the Imatinib-binding conformation.
Chem.Biol., 15, 2008
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6PKX
 | | Cryo-EM structure of the zebrafish TRPM2 channel in the presence of ADPR and Ca2+ | | Descriptor: | CALCIUM ION, Transient receptor potential cation channel subfamily M member 2, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Yin, Y, Wu, M, Hsu, A.L, Borschel, W.F, Borgnia, M.J, Lander, G.C, Lee, S.-Y. | | Deposit date: | 2019-06-30 | | Release date: | 2019-08-28 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Visualizing structural transitions of ligand-dependent gating of the TRPM2 channel.
Nat Commun, 10, 2019
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4QXK
 | | Joint X-ray/neutron structure of PKGIbeta in complex with cGMP | | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, SODIUM ION, cGMP-dependent protein kinase 1 | | Authors: | Kim, C, Gerlits, O, Kovalevsky, A, Huang, G.Y. | | Deposit date: | 2014-07-21 | | Release date: | 2014-11-12 | | Last modified: | 2024-02-28 | | Method: | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | | Cite: | Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design.
Biochemistry, 53, 2014
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7TEH
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-2 | | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2022-01-05 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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7TFR
 | | Room temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with NBH-2 | | Descriptor: | (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2022-01-07 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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2IDO
 | | Structure of the E. coli Pol III epsilon-Hot proofreading complex | | Descriptor: | 1,2-ETHANEDIOL, DNA polymerase III epsilon subunit, Hot protein, ... | | Authors: | Kirby, T.W, Harvey, S, DeRose, E.F, Chalov, S, Chikova, A.K, Perrino, F.W, Schaaper, R.M, London, R.E, Pedersen, L.C. | | Deposit date: | 2006-09-15 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Escherichia coli DNA polymerase III epsilon-HOT proofreading complex.
J.Biol.Chem., 281, 2006
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2IDZ
 | | Crystal structure of wild type Enoyl-ACP(CoA) reductase from Mycobacterium tuberculosis in complex with NADH-INH | | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE | | Authors: | Dias, M.V.B, Prado, M.P.X, Vasconcelos, I.B, Valmir, F, Basso, L.A, Santos, D.S, Azevedo Jr, W.F. | | Deposit date: | 2006-09-15 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic studies on the binding of isonicotinyl-NAD adduct to wild-type and isoniazid resistant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis.
J.Struct.Biol., 159, 2007
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3EUD
 | | Structure of the CS domain of the essential H/ACA RNP assembly protein Shq1p | | Descriptor: | Protein SHQ1 | | Authors: | Singh, M, Cascio, D, Gonzales, F.A, Heckmann, N, Chanfreau, G, Feigon, J. | | Deposit date: | 2008-10-09 | | Release date: | 2008-11-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and Functional Studies of the CS Domain of the Essential H/ACA Ribonucleoparticle Assembly Protein SHQ1.
J.Biol.Chem., 284, 2009
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3ZIL
 | | Structure of the Wpl1 protein | | Descriptor: | AAL182WP, AAR187CP | | Authors: | Chatterjee, A, Zakian, S, Hu, X.-W, Singleton, M.R. | | Deposit date: | 2013-01-09 | | Release date: | 2013-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.012 Å) | | Cite: | Structural Insights Into Regulation of Cohesion Establishment by Wpl1
Embo J., 32, 2013
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7TDU
 | | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with BBH-1 | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide, 3C-like proteinase | | Authors: | Kovalevsky, A, Kneller, D.W, Coates, L. | | Deposit date: | 2022-01-03 | | Release date: | 2022-03-02 | | Last modified: | 2024-04-03 | | Method: | NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION | | Cite: | Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
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4RAW
 | | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase NDM-1, ... | | Authors: | Kim, Y, Tesar, C, Jedrzejczak, R, Babnigg, G, Sacchettini, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2014-09-11 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.302 Å) | | Cite: | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin
To be Published
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2IOT
 | | Clavulanic Acid bound to Elastase | | Descriptor: | Elastase-1, N-(3-OXOPROPYL)GLYCINE, SULFATE ION | | Authors: | Farady, C, Navia, M.A. | | Deposit date: | 2006-10-10 | | Release date: | 2008-04-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Elastase Inhibition by Clavulanic Acid, and Inhibitor of Bacterial b-lactamases: Mechanistic and Structural Studies
To be Published
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6PMT
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1T1L
 | | Crystal structure of the long-chain fatty acid transporter FadL | | Descriptor: | LAURYL DIMETHYLAMINE-N-OXIDE, Long-chain fatty acid transport protein | | Authors: | van den Berg, B, Black, P.N, Clemons Jr, W.M, Rapoport, T.A. | | Deposit date: | 2004-04-16 | | Release date: | 2004-06-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the long-chain fatty acid transporter FadL.
Science, 304, 2004
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7TAU
 | | Refined capsid structure of human adenovirus D26 at 3.4 A resolution | | Descriptor: | Fiber, Hexon protein, PIX, ... | | Authors: | Reddy, V.S, Yu, X, Barry, M.A. | | Deposit date: | 2021-12-21 | | Release date: | 2022-03-16 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Refined Capsid Structure of Human Adenovirus D26 at 3.4 angstrom Resolution.
Viruses, 14, 2022
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1JYS
 | | Crystal Structure of E. coli MTA/AdoHcy Nucleosidase | | Descriptor: | ADENINE, MTA/SAH nucleosidase | | Authors: | Lee, J.E, Cornell, K.A, Riscoe, M.K, Howell, P.L. | | Deposit date: | 2001-09-13 | | Release date: | 2002-10-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of E. coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase reveals similarity to the purine nucleoside phosphorylases.
Structure, 9, 2001
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5KC9
 | | Crystal structure of the amino-terminal domain (ATD) of iGluR Delta-1 (GluD1) | | Descriptor: | 1,2-ETHANEDIOL, 1,4-BUTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Elegheert, J, Clay, J.E, Siebold, C, Aricescu, A.R. | | Deposit date: | 2016-06-05 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
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1TFJ
 | | Crystal structure of Bovine Glycolipid transfer protein in complex with a fatty acid | | Descriptor: | CHLORIDE ION, DECANOIC ACID, GLYCEROL, ... | | Authors: | Airenne, T.T, Kidron, H, West, G, Nymalm, Y, Mattjus, P, Salminen, T.A. | | Deposit date: | 2004-05-27 | | Release date: | 2005-08-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structural evidence for adaptive ligand binding of glycolipid transfer protein.
J.Mol.Biol., 355, 2006
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7T4S
 | | CryoEM structure of the HCMV Pentamer gH/gL/UL128/UL130/UL131A in complex with NRP2 and neutralizing fabs 8I21 and 13H11 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein H, ... | | Authors: | Kschonsak, M, Johnson, M.C, Schelling, R, Green, E.M, Rouge, L, Ho, H, Patel, N, Kilic, C, Kraft, E, Arthur, C.P, Rohou, A.L, Comps-Agrar, L, Martinez-Martin, N, Perez, L, Payandeh, J, Ciferri, C. | | Deposit date: | 2021-12-10 | | Release date: | 2022-03-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for HCMV Pentamer receptor recognition and antibody neutralization.
Sci Adv, 8, 2022
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