3ZKD
 
 | | CRYSTAL STRUCTURE OF THE ATPASE REGION OF Mycobacterium tuberculosis GyrB WITH AMPPNP | | Descriptor: | DNA GYRASE SUBUNIT B, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Agrawal, A, Roue, M, Spitzfaden, C, Petrella, S, Aubry, A, Volker, C, Mossakowska, D, Hann, M, Bax, B, Mayer, C. | | Deposit date: | 2013-01-22 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Mycobacterium Tuberculosis DNA Gyrase ATPase Domain Structures Suggest a Dissociative Mechanism that Explains How ATP Hydrolysis is Coupled to Domain Motion.
Biochem.J., 456, 2013
|
|
4ZZJ
 | | SIRT1/Activator/Substrate Complex | | Descriptor: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, Ac-p53, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Dai, H. | | Deposit date: | 2015-05-22 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7403 Å) | | Cite: | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
|
|
4CFN
 | | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine, CYCLIN-A2, ... | | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | | Deposit date: | 2013-11-19 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57, 2014
|
|
3ZXN
 | | Moorella thermoacetica RsbS S58E | | Descriptor: | ANTI-SIGMA-FACTOR ANTAGONIST (STAS) DOMAIN PROTEIN, THIOCYANATE ION | | Authors: | Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J. | | Deposit date: | 2011-08-12 | | Release date: | 2012-02-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling.
Structure, 20, 2012
|
|
1LWC
 | | CRYSTAL STRUCTURE OF M184V MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE | | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION | | Authors: | Ren, J, Chamberlain, P.P, Nichols, C.E, Douglas, L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2002-05-31 | | Release date: | 2002-10-30 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
|
|
1YHU
 | | Crystal structure of Riftia pachyptila C1 hemoglobin reveals novel assembly of 24 subunits. | | Descriptor: | Giant hemoglobins B chain, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Flores, J.F, Fisher, C.R, Carney, S.L, Green, B.N, Freytag, J.K, Schaeffer, S.W, Royer, W.E. | | Deposit date: | 2005-01-10 | | Release date: | 2005-02-08 | | Last modified: | 2013-03-06 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Sulfide binding is mediated by zinc ions discovered in the crystal structure of a hydrothermal vent tubeworm hemoglobin.
Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
256D
 | |
1GMK
 | | GRAMICIDIN/KSCN COMPLEX | | Descriptor: | GRAMICIDIN A, METHANOL, POTASSIUM ION, ... | | Authors: | Doyle, D.A, Wallace, B.A. | | Deposit date: | 1996-07-09 | | Release date: | 1998-07-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Gramicidin/Potassium Thiocyanate Complex.
J.Mol.Biol., 266, 1997
|
|
4GOW
 | | Crystal Structure of Ca2+/CaM:Kv7.4 (KCNQ4) B helix complex | | Descriptor: | CALCIUM ION, Calmodulin, Potassium voltage-gated channel subfamily KQT member 4 | | Authors: | Xu, Q, Chang, A, Tolia, A, Minor Jr, D.L. | | Deposit date: | 2012-08-20 | | Release date: | 2012-12-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of a Ca(2+)/CaM:Kv7.4 (KCNQ4) B-helix complex provides insight into M current modulation.
J.Mol.Biol., 425, 2013
|
|
4BQ6
 | | Crystal structure of the RGMB-NEO1 complex form 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, NEOGENIN, RGM DOMAIN FAMILY MEMBER B | | Authors: | Bell, C.H, Healey, E, van Erp, S, Bishop, B, Tang, C, Gilbert, R.J.C, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | | Deposit date: | 2013-05-30 | | Release date: | 2013-06-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Repulsive Guidance Molecule (Rgm)-Neogenin Signaling Hub
Science, 341, 2013
|
|
3BP2
 | |
1Q15
 | | Carbapenam Synthetase | | Descriptor: | CarA | | Authors: | Miller, M.T, Gerratana, B, Stapon, A, Townsend, C.A, Rosenzweig, A.C. | | Deposit date: | 2003-07-18 | | Release date: | 2003-11-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Carbapenam Synthetase (CarA)
J.Biol.Chem., 278, 2003
|
|
3E0V
 | |
6FY6
 | | Concerted dynamics of metallo-base pairs in an A/B-form helical transition (major species) | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*TP*CP*AP*TP*GP*AP*TP*AP*CP*G)-3')_major, MERCURY (II) ION | | Authors: | Schmidt, O.P, Jurt, S, Johannsen, S, Karimi, A, Sigel, R.K.O, Luedtke, N.W. | | Deposit date: | 2018-03-11 | | Release date: | 2019-10-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Concerted dynamics of metallo-base pairs in an A/B-form helical transition.
Nat Commun, 10, 2019
|
|
2ANL
 | | X-ray crystal structure of the aspartic protease plasmepsin 4 from the malarial parasite plasmodium malariae bound to an allophenylnorstatine based inhibitor | | Descriptor: | (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide, plasmepsin IV | | Authors: | Clemente, J.C, Govindasamy, L, Madabushi, A, Fisher, S.Z, Moose, R.E, Yowell, C.A, Hidaka, K, Kimura, T, Hayashi, Y, Kiso, Y, Agbandje-McKenna, M, Dame, J.B, Dunn, B.M, McKenna, R. | | Deposit date: | 2005-08-11 | | Release date: | 2006-04-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure of the aspartic protease plasmepsin 4 from the malarial parasite Plasmodium malariae bound to an allophenylnorstatine-based inhibitor.
Acta Crystallogr.,Sect.D, 62, 2006
|
|
3P2P
 | | ENHANCED ACTIVITY AND ALTERED SPECIFICITY OF PHOSPHOLIPASE A2 BY DELETION OF A SURFACE LOOP | | Descriptor: | CALCIUM ION, PHOSPHOLIPASE A2 | | Authors: | Dijkstra, B.W, Thunnissen, M.M.G.M, Kalk, K.H, Drenth, J. | | Deposit date: | 1989-11-29 | | Release date: | 1990-01-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Enhanced activity and altered specificity of phospholipase A2 by deletion of a surface loop.
Science, 244, 1989
|
|
1LBT
 | | LIPASE (E.C.3.1.1.3) (TRIACYLGLYCEROL HYDROLASE) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIPASE B, METHYLPENTA(OXYETHYL) HEPTADECANOATE | | Authors: | Uppenberg, J, Jones, T.A. | | Deposit date: | 1995-07-11 | | Release date: | 1995-10-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystallographic and molecular-modeling studies of lipase B from Candida antarctica reveal a stereospecificity pocket for secondary alcohols.
Biochemistry, 34, 1995
|
|
4IZX
 | | Macrolepiota procera ricin B-like lectin (MPL) in complex with lactose | | Descriptor: | BENZAMIDINE, Ricin B-like lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Renko, M, Zurga, S, Sabotic, J, Pohleven, J, Kos, J, Turk, D. | | Deposit date: | 2013-01-30 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Macrolepiota procera ricin B-like lectin (MPL) in complex with lactose
To be Published
|
|
1XC7
 | | Binding of beta-D-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: Kinetic and crystallographic studies | | Descriptor: | Glycogen phosphorylase, muscle form, N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine, ... | | Authors: | Chrysina, E.D, Kosmopoulou, M.N, Kardakaris, R, Bischler, N, Leonidas, D.D, Kannan, T, Loganathan, D, Oikonomakos, N.G. | | Deposit date: | 2004-09-01 | | Release date: | 2005-02-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Binding of beta-d-glucopyranosyl bismethoxyphosphoramidate to glycogen phosphorylase b: kinetic and crystallographic studies
Bioorg.Med.Chem., 13, 2005
|
|
5WRE
 | | Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01) | | Descriptor: | (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2016-12-01 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.946 Å) | | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
|
|
1A9E
 | | DECAMER-LIKE CONFORMATION OF A NANO-PEPTIDE BOUND TO HLA-B3501 DUE TO NONSTANDARD POSITIONING OF THE C-TERMINUS | | Descriptor: | BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-35 B*3501 (ALPHA CHAIN), ... | | Authors: | Menssen, R, Orth, P, Ziegler, A, Saenger, W. | | Deposit date: | 1998-04-05 | | Release date: | 1998-10-21 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Decamer-like conformation of a nona-peptide bound to HLA-B*3501 due to non-standard positioning of the C terminus.
J.Mol.Biol., 285, 1999
|
|
1R03
 | | crystal structure of a human mitochondrial ferritin | | Descriptor: | MAGNESIUM ION, mitochondrial ferritin | | Authors: | Corsi, B, Santambrogio, P, Arosio, P, Levi, S, Langlois d'Estaintot, B, Granier, T, Gallois, B, Chevallier, J.M, Precigoux, G. | | Deposit date: | 2003-09-19 | | Release date: | 2004-06-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure and Biochemical Properties of the Human Mitochondrial Ferritin and its Mutant Ser144Ala
J.Mol.Biol., 340, 2004
|
|
3PFV
 | | Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide | | Descriptor: | 1,2-ETHANEDIOL, 11-meric peptide from Epidermal growth factor receptor, CHLORIDE ION, ... | | Authors: | Chaikuad, A, Guo, K, Cooper, C.D.O, Ayinampudi, V, Krojer, T, Muniz, J.R.C, Vollmar, M, Canning, P, Gileadi, O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-10-29 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide
To be Published
|
|
7LYK
 | |
7LYL
 | |
