4CM9
 
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-amino-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, ... | | Authors: | Barrack, K.L, Hunter, W.N. | | Deposit date: | 2014-01-15 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
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4CLD
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4CMJ
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4CME
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | | Descriptor: | N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1 | | Authors: | Barrack, K.L, Hunter, W.N. | | Deposit date: | 2014-01-16 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
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4CM7
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | | Descriptor: | 5-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Barrack, K.L, Hunter, W.N. | | Deposit date: | 2014-01-15 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
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3FDC
 | | Crystal Structure of Avidin | | Descriptor: | Avidin, iron(II) tetracyano-5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4'-methyl-[2,2']bipyridinyl-4-ylmethyl)-amide | | Authors: | Barker, K.D, Sazinsky, M.H, Eckermann, A.L, Abajian, C, Hartings, M.R, Rosenzweig, A.C, Meade, T.J. | | Deposit date: | 2008-11-25 | | Release date: | 2009-12-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Protein Binding and the Electronic Properties of Iron(II) Complexes: An Electrochemical and Optical Investigation of Outer Sphere Effects.
Bioconjug.Chem., 20, 2009
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1ZIT
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1A3P
 | | ROLE OF THE 6-20 DISULFIDE BRIDGE IN THE STRUCTURE AND ACTIVITY OF EPIDERMAL GROWTH FACTOR, NMR, 20 STRUCTURES | | Descriptor: | EPIDERMAL GROWTH FACTOR | | Authors: | Barnham, K, Torres, A, Alewood, D, Alewood, P, Domagala, T, Nice, E, Norton, R. | | Deposit date: | 1998-01-22 | | Release date: | 1998-07-29 | | Last modified: | 2018-03-14 | | Method: | SOLUTION NMR | | Cite: | Role of the 6-20 disulfide bridge in the structure and activity of epidermal growth factor.
Protein Sci., 7, 1998
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4GN0
 | | De novo phasing of a Hamp-complex using an improved Arcimboldo method | | Descriptor: | Hamp domain of AF1503, MAGNESIUM ION | | Authors: | Hulko, M, Ursinus, A, Bar, K, Martin, J, Zeth, K, Lupas, A.N. | | Deposit date: | 2012-08-16 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Exploiting tertiary structure through local folds for crystallographic phasing.
Nat.Methods, 10, 2013
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5IYZ
 | | Tubulin-MMAE complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Waight, A.B, Bargsten, K, Doronina, S, Steinmetz, M.O, Sussman, D, Prota, A.E. | | Deposit date: | 2016-03-24 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics.
Plos One, 11, 2016
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5J2T
 | | Tubulin-vinblastine complex | | Descriptor: | (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Waight, A.B, Bargsten, K, Doronina, S, Steinmetz, M.O, Sussman, D, Prota, A.E. | | Deposit date: | 2016-03-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics.
Plos One, 11, 2016
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5J2U
 | | Tubulin-MMAF complex | | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Waight, A.B, Bargsten, K, Doronina, S, Steinmetz, M.O, Sussman, D, Prota, A.E. | | Deposit date: | 2016-03-30 | | Release date: | 2016-08-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics.
Plos One, 11, 2016
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6VC1
 | | Octreotide oxalate | | Descriptor: | OXALATE ION, Octreotide | | Authors: | Spiliopoulou, M, Karavassili, F, Triandafillidis, D, Valmas, A, Kosinas, C, Fili, S, Barlos, K, Barlos, K.K, Morin, M, Reinle-Schmitt, M, Gozzo, F, Margiolaki, I. | | Deposit date: | 2019-12-20 | | Release date: | 2020-12-23 | | Last modified: | 2024-11-06 | | Method: | POWDER DIFFRACTION | | Cite: | New perspectives in macromolecular powder diffraction using single-photon-counting strip detectors: high-resolution structure of the pharmaceutical peptide octreotide.
Acta Crystallogr.,Sect.A, 77, 2021
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1U3O
 | | Solution structure of rat Kalirin N-terminal SH3 domain | | Descriptor: | Huntingtin-associated protein-interacting protein | | Authors: | Schiller, M.R, Chakrabarti, K, King, G.F, Schiller, N.I, Eipper, B.A, Maciejewski, M.W. | | Deposit date: | 2004-07-22 | | Release date: | 2005-07-26 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Regulation of RhoGEF Activity by Intramolecular and Intermolecular SH3 Domain Interactions.
J.Biol.Chem., 281, 2006
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6KTL
 | | Crystal structure of scyllo-inositol dehydrogenase R178A mutant, complexed with NAD and myo-inositol, from Paracoccus laeviglucosivorans | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ACETATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S. | | Deposit date: | 2019-08-28 | | Release date: | 2019-12-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans.
Biosci.Biotechnol.Biochem., 84, 2020
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6KTK
 | | Crystal structure of scyllo-inositol dehydrogenase R178A mutant, complexed with NADH and L-glucono-1,5-lactone, from Paracoccus laeviglucosivorans | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-glucono-1,5-lactone, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity, ... | | Authors: | Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S. | | Deposit date: | 2019-08-28 | | Release date: | 2019-12-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans.
Biosci.Biotechnol.Biochem., 84, 2020
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6KTJ
 | | Crystal structure of scyllo-inositol dehydrogenase R178A mutant, apo-form, from Paracoccus laeviglucosivorans | | Descriptor: | ACETATE ION, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity | | Authors: | Suzuki, M, Koubara, K, Takenoya, M, Fukano, K, Ito, S, Sasaki, Y, Nakamura, A, Yajima, S. | | Deposit date: | 2019-08-28 | | Release date: | 2019-12-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Single amino acid mutation altered substrate specificity for L-glucose and inositol inscyllo-inositol dehydrogenase isolated fromParacoccus laeviglucosivorans.
Biosci.Biotechnol.Biochem., 84, 2020
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5MF4
 | | Tubulin-Dictyostatin complex | | Descriptor: | (3~{Z},5~{E},7~{R},8~{S},10~{S},11~{Z},13~{S},14~{R},15~{S},17~{S},20~{R},21~{S},22~{S})-22-[(2~{S},3~{Z})-hexa-3,5-dien-2-yl]-7,13,15,17,21-pentamethyl-8,10,14,20-tetrakis(oxidanyl)-1-oxacyclodocosa-3,5,11-trien-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Trigili, C, Barasoain, I, Sanchez-Murcia, P.A, Bargsten, K, Redondo-Horcajo, M, Nogales, A, Gardner, N.M, Meyer, A, Naylor, G.J, Gomez-Rubio, E, Gago, F, Steinmetz, M.O, Paterson, I, Prota, A.E, Diaz, J.F. | | Deposit date: | 2016-11-17 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Determinants of the Dictyostatin Chemotype for Tubulin Binding Affinity and Antitumor Activity Against Taxane- and Epothilone-Resistant Cancer Cells.
ACS Omega, 1, 2016
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6P8F
 | | Crystal structure of CDK4 in complex with CyclinD1 and P27 | | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1 | | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | | Deposit date: | 2019-06-07 | | Release date: | 2019-12-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
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6P8H
 | | Crystal structure of CDK4 in complex with CyclinD1 and P21 | | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1, G1/S-specific cyclin-D1 | | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | | Deposit date: | 2019-06-07 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
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6P8G
 | | Crystal structure of CDK4 in complex with CyclinD1 and P27 | | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1 | | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | | Deposit date: | 2019-06-07 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
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6P8E
 | | Crystal structure of CDK4 in complex with CyclinD1 and P27 | | Descriptor: | Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1, ... | | Authors: | Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M. | | Deposit date: | 2019-06-07 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
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8F8P
 | | Cryo-EM structure of F-actin in the ADP state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Carman, P.J, Barrie, K.R, Dominguez, R. | | Deposit date: | 2022-11-22 | | Release date: | 2023-06-07 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (2.26 Å) | | Cite: | Structures of the free and capped ends of the actin filament.
Science, 380, 2023
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8F8Q
 | | Cryo-EM structure of the CapZ-capped barbed end of F-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Carman, P.J, Barrie, K.R, Dominguez, R. | | Deposit date: | 2022-11-22 | | Release date: | 2023-06-07 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Structures of the free and capped ends of the actin filament.
Science, 380, 2023
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8F8T
 | | Cryo-EM structure of the Tropomodulin-capped pointed end of F-actin | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Carman, P.J, Barrie, K.R, Dominguez, R. | | Deposit date: | 2022-11-22 | | Release date: | 2023-06-07 | | Last modified: | 2023-07-05 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structures of the free and capped ends of the actin filament.
Science, 380, 2023
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