5I2L
 
 | | Structure of EF-hand containing protein | | Descriptor: | CALCIUM ION, EF-hand domain-containing protein D2 | | Authors: | Park, K.R, Kwon, M.S, An, J.Y, Lee, J.G, Youn, H.S, Lee, Y, Kang, J.Y, Kim, T.G, Lim, J.J, Park, J.S, Lee, S.H, Song, W.K, Cheong, H, Jun, C, Eom, S.H. | | Deposit date: | 2016-02-09 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural implications of Ca(2+)-dependent actin-bundling function of human EFhd2/Swiprosin-1.
Sci Rep, 6, 2016
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2XM8
 | | Co-crystal structure of a small molecule inhibitor bound to the kinase domain of Chk2 | | Descriptor: | 2-{4-[(3S)-PYRROLIDIN-3-YLAMINO]QUINAZOLIN-2-YL}PHENOL, SERINE/THREONINE-PROTEIN KINASE CHK2 | | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | | Deposit date: | 2010-07-26 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
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2BFW
 | | Structure of the C domain of glycogen synthase from Pyrococcus abyssi | | Descriptor: | ACETATE ION, GLGA GLYCOGEN SYNTHASE, SULFATE ION | | Authors: | Horcajada, C, Guinovart, J.J, Fita, I, Ferrer, J.C. | | Deposit date: | 2004-12-15 | | Release date: | 2005-11-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of an Archaeal Glycogen Synthase: Insights Into Oligomerisation and Substrate Binding of Eukaryotic Glycogen Synthases.
J.Biol.Chem., 281, 2006
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2XP2
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with Crizotinib (PF-02341066) | | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR | | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Timofeevski, S, Marrone, T, Cui, J.J. | | Deposit date: | 2010-08-24 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk).
J.Med.Chem, 54, 2011
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6F6L
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5IAG
 | | Caspase 3 V266Q | | Descriptor: | ACE-ASP-GLU-VAL-ASK, ASP-ASP-ASP-MET, Caspase-3 | | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | | Deposit date: | 2016-02-21 | | Release date: | 2016-10-26 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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1F14
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6F6G
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1I8N
 | | CRYSTAL STRUCTURE OF LEECH ANTI-PLATELET PROTEIN | | Descriptor: | ANTI-PLATELET PROTEIN, PROPIONAMIDE | | Authors: | Huizinga, E.G, Schouten, A, Connolly, T.M, Kroon, J, Sixma, J.J, Gros, P. | | Deposit date: | 2001-03-15 | | Release date: | 2001-08-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The structure of leech anti-platelet protein, an inhibitor of haemostasis.
Acta Crystallogr.,Sect.D, 57, 2001
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6F6B
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1IC9
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5ID3
 | | Solution structure of the pore-forming region of C. elegans Mitochondrial Calcium Uniporter (MCU) | | Descriptor: | Mitochondrial Calcium Uniporter | | Authors: | Oxenoid, K, Dong, Y, Cao, C, Cui, T, Sancak, Y, Markhard, A.L, Grabarek, Z, Kong, L, Liu, Z, Ouyang, B, Cong, Y, Mootha, V.K, Chou, J.J, Membrane Protein Structures by Solution NMR (MPSbyNMR) | | Deposit date: | 2016-02-23 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Architecture of the mitochondrial calcium uniporter.
Nature, 533, 2016
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2VBE
 | | Tailspike protein of bacteriophage Sf6 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, MANGANESE (II) ION, ... | | Authors: | Barbirz, S, Mueller, J.J, Freiberg, A, Heinemann, U, Seckler, R. | | Deposit date: | 2007-09-12 | | Release date: | 2008-04-22 | | Last modified: | 2019-04-03 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | An intersubunit active site between supercoiled parallel beta helices in the trimeric tailspike endorhamnosidase of Shigella flexneri Phage Sf6.
Structure, 16, 2008
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5IV1
 | | Solution Structure of DNA Dodecamer with 8-oxoguanine at 4th Position | | Descriptor: | DNA (5'-D(*CP*GP*CP*(8OG)P*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Miears, H.L, Gruber, D.R, Hoppins, J.J, Kiryutin, A.S, Kasymov, R.D, Yurkovskaya, A.V, Zharkov, D.O, Smirnov, S.L. | | Deposit date: | 2016-03-18 | | Release date: | 2016-07-27 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | 8-Oxoguanine Affects DNA Backbone Conformation in the EcoRI Recognition Site and Inhibits Its Cleavage by the Enzyme.
Plos One, 11, 2016
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6BDE
 | | Crystal structure of Fe(II) unliganded H-NOX protein mutant A71G from K. algicida | | Descriptor: | 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bruegger, J.J, Hespen, C.W, Marletta, M.A. | | Deposit date: | 2017-10-22 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.641 Å) | | Cite: | Native Alanine Substitution in the Glycine Hinge Modulates Conformational Flexibility of Heme Nitric Oxide/Oxygen (H-NOX) Sensing Proteins.
ACS Chem. Biol., 13, 2018
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6F6E
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2XBJ
 | | Crystal Structure of Chk2 in complex with an inhibitor | | Descriptor: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, NITRATE ION, ... | | Authors: | Anderson, V.E, Walton, M.I, Eve, P.D, Caldwell, J.J, Pearl, L.H, Oliver, A.W, Collins, I, Garrett, M.D. | | Deposit date: | 2010-04-12 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
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5J9A
 | | Ambient temperature transition state structure of arginine kinase - crystal 11/Form II | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ARGININE, Arginine kinase, ... | | Authors: | Godsey, M, Davulcu, O, Nix, J, Skalicky, J.J, Bruschweiler, R, Chapman, M.S. | | Deposit date: | 2016-04-08 | | Release date: | 2016-08-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | The Sampling of Conformational Dynamics in Ambient-Temperature Crystal Structures of Arginine Kinase.
Structure, 24, 2016
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2XM9
 | | Structure of a small molecule inhibitor with the kinase domain of Chk2 | | Descriptor: | 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | | Authors: | Caldwell, J.J, Welsh, E.J, Matijssen, C, Anderson, V.E, Antoni, L, Boxall, K, Urban, F, Hayes, A, Raynaud, F.I, Rigoreau, L.J, Raynham, T, Aherne, G.W, Pearl, L.H, Oliver, A.W, Garrett, M.D, Collins, I. | | Deposit date: | 2010-07-26 | | Release date: | 2011-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2.
J.Med.Chem., 54, 2011
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2BIS
 | | Structure of glycogen synthase from Pyrococcus abyssi | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, GLGA GLYCOGEN SYNTHASE, GLYCEROL, ... | | Authors: | Horcajada, C, Guinovart, J.J, Fita, I, Ferrer, J.C. | | Deposit date: | 2005-01-25 | | Release date: | 2005-11-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of an Archaeal Glycogen Synthase: Insights Into Oligomerisation and Substrate Binding of Eukaryotic Glycogen Synthases.
J.Biol.Chem., 281, 2006
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2XKW
 | | LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST PIOGLITAZONE | | Descriptor: | (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Mueller, J.J, Schupp, M, Unger, T, Kintscher, U, Heinemann, U. | | Deposit date: | 2010-07-14 | | Release date: | 2011-08-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Binding Diversity of Pioglitazone by Peroxisome Proliferator-Activated Receptor-Gamma
To be Published
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2BID
 | | HUMAN PRO-APOPTOTIC PROTEIN BID | | Descriptor: | PROTEIN (BID) | | Authors: | Chou, J.J, Li, H, Salvesen, G.S, Yuan, J, Wagner, G. | | Deposit date: | 1999-01-27 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of BID, an intracellular amplifier of apoptotic signaling.
Cell(Cambridge,Mass.), 96, 1999
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1FE8
 | | CRYSTAL STRUCTURE OF THE VON WILLEBRAND FACTOR A3 DOMAIN IN COMPLEX WITH A FAB FRAGMENT OF IGG RU5 THAT INHIBITS COLLAGEN BINDING | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, IMMUNOGLOBULIN IGG RU5, ... | | Authors: | Bouma, B, Huizinga, E.G, Schiphorst, M.E, Sixma, J.J, Kroon, J, Gros, P. | | Deposit date: | 2000-07-21 | | Release date: | 2001-04-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Identification of the collagen-binding site of the von Willebrand factor A3-domain.
J.Biol.Chem., 276, 2001
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4LVW
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6BDD
 | | Crystal structure of Fe(II) unliganded H-NOX protein from K. algicida | | Descriptor: | 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Bruegger, J.J, Hespen, C.W, Marletta, M.A. | | Deposit date: | 2017-10-22 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Native Alanine Substitution in the Glycine Hinge Modulates Conformational Flexibility of Heme Nitric Oxide/Oxygen (H-NOX) Sensing Proteins.
ACS Chem. Biol., 13, 2018
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