5D51
| Krypton derivatization of an O2-tolerant membrane-bound [NiFe] hydrogenase reveals a hydrophobic gas tunnel network | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | Authors: | Kalms, J, Schmidt, A, Frielingsdorf, S, van der Linden, P, von Stetten, D, Lenz, O, Carpentier, P, Scheerer, P. | Deposit date: | 2015-08-10 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Krypton Derivatization of an O2 -Tolerant Membrane-Bound [NiFe] Hydrogenase Reveals a Hydrophobic Tunnel Network for Gas Transport. Angew.Chem.Int.Ed.Engl., 55, 2016
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5D7Q
| Crystal structure of human Sirt2 in complex with ADPR and CHIC35 | Descriptor: | (6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | Authors: | Rumpf, T, Gerhardt, S, Einsle, O, Jung, M. | Deposit date: | 2015-08-14 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking. Acta Crystallogr.,Sect.F, 71, 2015
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2V6X
| Stractural insight into the interaction between ESCRT-III and Vps4 | Descriptor: | DOA4-INDEPENDENT DEGRADATION PROTEIN 4, SULFATE ION, VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN 4 | Authors: | Obita, T, Perisic, O, Ghazi-Tabatabai, S, Saksena, S, Emr, S.D, Williams, R.L. | Deposit date: | 2007-07-23 | Release date: | 2007-10-16 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Basis for Selective Recognition of Escrt-III by the Aaa ATPase Vps4 Nature, 449, 2007
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2UZP
| Crystal structure of the C2 domain of human protein kinase C gamma. | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, COBALT (II) ION, ... | Authors: | Pike, A.C.W, Amos, A, Johansson, C, Sobott, F, Savitsky, P, Berridge, G, Fedorov, O, Umeano, C, Gorrec, F, Bunkoczi, G, Debreczeni, J, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | Deposit date: | 2007-04-30 | Release date: | 2007-05-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of C2 Domain of Protein Kinase C Gamma To be Published
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5DKE
| Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a 3-naphthyl-substituted, methyl, cis-diaryl-ethylene compound 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol | Descriptor: | 4,4'-[2-(naphthalen-2-yl)prop-1-ene-1,1-diyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-03 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5DL4
| Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a phenylamino-substituted, methyl, triaryl-ethylene derivative 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol | Descriptor: | 4,4'-{2-[3-(phenylamino)phenyl]prop-1-ene-1,1-diyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-04 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5DQJ
| Structure of unliganded S55-5 Fab | Descriptor: | S55-5 Fab (IgG1 kappa) light chain, S55-5 Fab (IgG1) heavy chain | Authors: | Haji-Ghassemi, O, Evans, S.V. | Deposit date: | 2015-09-14 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Lipid A-antibody structures reveal a widely-utilized pocket specific for negatively charged groups derived from unrelated V-genes J.Biol.Chem., 2015
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2VDG
| Barley Aldose Reductase 1 complex with butanol | Descriptor: | 1-BUTANOL, ALDOSE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Olsen, J.G, Pedersen, L, Christensen, C.L, Olsen, O, Henriksen, A. | Deposit date: | 2007-10-08 | Release date: | 2008-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Barley Aldose Reductase: Structure, Cofactor Binding, and Substrate Recognition in the Aldo/Keto Reductase 4C Family. Proteins: Struct., Funct., Bioinf., 71, 2008
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5DLP
| Acetylcholinesterase Methylene Blue no PEG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, Acetylcholinesterase, ... | Authors: | Dym, O. | Deposit date: | 2015-09-07 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The impact of crystallization conditions on structure-based drug design: A case study on the methylene blue/acetylcholinesterase complex. Protein Sci., 25, 2016
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4NR4
| Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand | Descriptor: | 1,2-ETHANEDIOL, 1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole, CREB-binding protein, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-11-26 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand TO BE PUBLISHED
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2VA7
| X-ray crystal structure of beta secretase complexed with compound 27 | Descriptor: | (6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, BETA-SECRETASE 1 ., IODIDE ION | Authors: | Edwards, P.D, Albert, J.S, Sylvester, M, Aharony, D, Andisik, D, Callaghan, O, Campbell, J.B, Carr, R.A, Chessari, G, Congreve, M, Frederickson, M, Folmer, R.H.A, Geschwindner, S, Koether, G, Kolmodin, K, Krumrine, J, Mauger, R.C, Murray, C.W, Olsson, L.L, Patel, S, Spear, N, Tian, G. | Deposit date: | 2007-08-30 | Release date: | 2007-11-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem., 50, 2007
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4NRC
| Crystal Structure of the bromodomain of human BAZ2B in complex with compound-3 N01186 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide, ... | Authors: | Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-11-26 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain. J.Med.Chem., 56, 2013
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2VIC
| CRYSTAL STRUCTURE OF THE ISHP608 TRANSPOSASE IN COMPLEX with Left end 26- mer DNA and manganese | Descriptor: | 5'-D(*AP*AP*AP*GP*CP*CP*CP*CP*TP*AP *GP*CP*TP*TP*TP*TP*AP*GP*CP*TP*AP*TP*GP*GP*GP*G)-3', MANGANESE (II) ION, TRANSPOSASE ORFA | Authors: | Barabas, O, Ronning, D.R, Guynet, C, Hickman, A.B, Ton-Hoang, B, Chandler, M, Dyda, F. | Deposit date: | 2007-11-29 | Release date: | 2008-02-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Mechanism of is200/is605 Family DNA Transposases: Activation and Transposon-Directed Target Site Selection. Cell(Cambridge,Mass.), 132, 2008
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5DYD
| Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol | Descriptor: | 4,4'-{[(3S)-3-(methylsulfanyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-24 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.485 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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5DZ3
| Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol | Descriptor: | 4,4'-{[4-(fluoromethyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-25 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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4NYW
| Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand | Descriptor: | (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-11 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand TO BE PUBLISHED
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5E1C
| Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate | Descriptor: | Estrogen receptor, Nuclear receptor coactivator 2, dimethyl {(1S)-3-[bis(4-hydroxyphenyl)methylidene]cyclohexyl}propanedioate | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-09-29 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
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8SEU
| Cryo-EM Structure of RyR1 (Local Refinement of TMD) | Descriptor: | Ryanodine receptor 1, ZINC ION | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SEP
| Cryo-EM Structure of RyR1 + ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SER
| Cryo-EM Structure of RyR1 + Adenosine | Descriptor: | ADENOSINE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SEV
| Cryo-EM Structure of RyR1 + ATP-gamma-S (Local Refinement of TMD) | Descriptor: | PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Ryanodine receptor 1, ZINC ION | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SEQ
| Cryo-EM Structure of RyR1 + AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SEY
| Cryo-EM Structure of RyR1 + Adenosine (Local Refinement of TMD) | Descriptor: | ADENOSINE, Ryanodine receptor 1, ZINC ION | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SEW
| Cryo-EM Structure of RyR1 + ADP (Local Refinement of TMD) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Ryanodine receptor 1, ZINC ION | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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8SF0
| Cryo-EM Structure of RyR1 + cAMP (Local Refinement of TMD) | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Ryanodine receptor 1, ZINC ION | Authors: | Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S. | Deposit date: | 2023-04-10 | Release date: | 2023-05-24 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives. Structure, 31, 2023
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