5SB5
 
 | | Tubulin-todalam-9-complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Prota, A.E, Cavalli, A, Steinmetz, M.O. | | Deposit date: | 2021-07-08 | | Release date: | 2022-04-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action.
Angew.Chem.Int.Ed.Engl., 61, 2022
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5SB4
 | | Tubulin-todalam-8-complex | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Muehlethaler, T, Milanos, L, Ortega, J.A, Blum, T.B, Gioia, D, Prota, A.E, Cavalli, A, Steinmetz, M.O. | | Deposit date: | 2021-07-08 | | Release date: | 2022-04-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rational Design of a Novel Tubulin Inhibitor with a Unique Mechanism of Action.
Angew.Chem.Int.Ed.Engl., 61, 2022
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5AHV
 | | Cryo-EM structure of helical ANTH and ENTH tubules on PI(4,5)P2-containing membranes | | Descriptor: | ANTH DOMAIN OF ENDOCYTIC ADAPTOR SLA2, ENTH DOMAIN OF EPSIN ENT1 | | Authors: | Skruzny, M, Desfosses, A, Prinz, S, Dodonova, S.O, Gieras, A, Uetrecht, C, Jakobi, A.J, Abella, M, Hagen, W.J.H, Schulz, J, Meijers, R, Rybin, V, Briggs, J.A.G, Sachse, C, Kaksonen, M. | | Deposit date: | 2015-02-10 | | Release date: | 2015-05-06 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (13.6 Å) | | Cite: | An Organized Co-Assembly of Clathrin Adaptors is Essential for Endocytosis.
Dev.Cell, 33, 2015
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1H1S
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102 | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE | | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | | Deposit date: | 2002-07-21 | | Release date: | 2002-09-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
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1H1P
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU2058 | | Descriptor: | 6-O-CYCLOHEXYLMETHYL GUANINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | Authors: | Davies, T.G, Noble, M.E.M, Endicott, J.A, Johnson, L.N. | | Deposit date: | 2002-07-21 | | Release date: | 2002-09-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Design of a Potent Purine-Based Cyclin-Dependent Kinase Inhibitor
Nat.Struct.Biol., 9, 2002
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1QAT
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2QPD
 | | An unexpected outcome of surface-engineering an integral membrane protein: Improved crystallization of cytochrome ba3 oxidase from Thermus thermophilus | | Descriptor: | COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | | Authors: | Liu, B, Luna, V.M, Chen, Y, Stout, C.D, Fee, J.A. | | Deposit date: | 2007-07-23 | | Release date: | 2007-12-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | An unexpected outcome of surface engineering an integral membrane protein: improved crystallization of cytochrome ba(3) from Thermus thermophilus.
Acta Crystallogr.,Sect.F, 63, 2007
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1QOM
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH SWAPPED N-TERMINAL HOOK | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Crane, B.R, Rosenfeld, R.A, Arvai, A.S, Tainer, J.A, Stuehr, D.J, Getzoff, E.D. | | Deposit date: | 1999-11-15 | | Release date: | 1999-12-15 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | N-Terminal Domain Swapping and Metal Ion Binding in Nitric Oxide Synthase Dimerization
Embo J., 18, 1999
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3Q8K
 | | Crystal Structure of Human Flap Endonuclease FEN1 (WT) in complex with product 5'-flap DNA, SM3+, and K+ | | Descriptor: | DNA (5'-D(*AP*CP*CP*GP*TP*CP*C)-3'), DNA (5'-D(*AP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*T)-3'), DNA (5'-D(P*TP*GP*AP*GP*GP*CP*AP*GP*AP*GP*T)-3'), ... | | Authors: | Tsutakawa, S.E, Classen, S, Chapados, B.R, Arvai, A, Finger, D.L, Guenther, G, Tomlinson, C.G, Thompson, P, Sarker, A.H, Shen, B, Cooper, P.K, Grasby, J.A, Tainer, J.A. | | Deposit date: | 2011-01-06 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2001 Å) | | Cite: | Human Flap Endonuclease Structures, DNA Double-Base Flipping, and a Unified Understanding of the FEN1 Superfamily.
Cell(Cambridge,Mass.), 145, 2011
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5IXD
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6NZR
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5FTZ
 | | AA10 lytic polysaccharide monooxygenase (LPMO) from Streptomyces lividans | | Descriptor: | CHITIN BINDING PROTEIN, COPPER (II) ION | | Authors: | Chaplin, A.K.C, Wilson, M.T, Hough, M.A, Svistunenko, D.A, Hemsworth, G.R, Walton, P.H, Vijgenboom, E, Worrall, J.A.R. | | Deposit date: | 2016-01-19 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Heterogeneity in the Histidine-Brace Copper Coordination Sphere in Aa10 Lytic Polysaccharide Monooxygenases.
J.Biol.Chem., 291, 2016
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5T57
 | | Crystal Structure of a Semialdehyde dehydrogenase NAD-binding Protein from Cupriavidus necator in Complex with Calcium and NAD | | Descriptor: | CALCIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Semialdehyde dehydrogenase NAD-binding protein, ... | | Authors: | Cook, W.J, Fedorov, A.A, Fedorov, E.V, Huang, H, Bonanno, J.B, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2016-08-30 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal Structure of a Semialdehyde dehydrogenase NAD-binding Protein from Cupriavidus necator in Complex with Calcium and NAD
To be published
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1FOK
 | | STRUCTURE OF RESTRICTION ENDONUCLEASE FOKI BOUND TO DNA | | Descriptor: | DNA (5'-D(*AP*TP*GP*AP*CP*TP*AP*GP*CP*GP*TP*TP*AP*TP*CP*AP*T P*CP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*GP*AP*TP*GP*AP*TP*AP*AP*CP*GP*CP*TP*AP*G P*TP*CP*A)-3'), PROTEIN (FOKI RESTRICTION ENDONUCLEASE) | | Authors: | Aggarwal, D.A, Wah, J.A, Hirsch, L.F, Dorner, I, Schildkraut, A.K. | | Deposit date: | 1997-04-18 | | Release date: | 1997-12-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the multimodular endonuclease FokI bound to DNA.
Nature, 388, 1997
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5TLU
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the PEG-linked Dimeric Estrogen, EE2-(eg)6-EE2-amine | | Descriptor: | (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.223 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TCC
 | | Complement Factor D inhibited with JH4 | | Descriptor: | (2S)-N-(6-bromopyridin-2-yl)-3-[(1H-indazol-1-yl)acetyl]-1,3-thiazolidine-2-carboxamide, Complement factor D | | Authors: | Stuckey, J.A. | | Deposit date: | 2016-09-14 | | Release date: | 2016-10-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors.
ACS Med Chem Lett, 7, 2016
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5TM3
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,3-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide | | Descriptor: | (1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-12 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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2W11
 | | Structure of the L-2-haloacid dehalogenase from Sulfolobus tokodaii | | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, 2-HALOALKANOIC ACID DEHALOGENASE | | Authors: | Rye, C.A, Isupov, M.N, Lebedev, A.A, Littlechild, J.A. | | Deposit date: | 2008-10-13 | | Release date: | 2008-12-09 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Biochemical and Structural Studies of a L-Haloacid Dehalogenase from the Thermophilic Archaeon Sulfolobus Tokodaii.
Extremophiles, 13, 2009
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5TML
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid | | Descriptor: | 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TMV
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS analog, 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | | Descriptor: | 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TN5
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the AC-ring estrogen, (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol | | Descriptor: | (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.892 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TMZ
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,17S)-16-(3-methoxybenzyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | | Descriptor: | (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.207 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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5TN7
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-3'-fluoro-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate | | Descriptor: | 3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Minutolo, F, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-10-13 | | Release date: | 2017-01-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.238 Å) | | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
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8UC2
 | | Ethylene forming enzyme (EFE) R171A variant in complex with nickel and Benzoic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, BENZOIC ACID, ... | | Authors: | Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R. | | Deposit date: | 2023-09-25 | | Release date: | 2023-10-04 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural, Spectroscopic, and Computational Insights from Canavanine-Bound and Two Catalytically Compromised Variants of the Ethylene-Forming Enzyme.
Biochemistry, 63, 2024
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5IXI
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