5T4P
 
 | | Autoinhibited E. coli ATP synthase state 2 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Sobti, M, Smits, C, Wong, A.S.W, Ishmukhametov, R, Stock, D, Sandin, S, Stewart, A.G. | | Deposit date: | 2016-08-29 | | Release date: | 2016-12-28 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (7.77 Å) | | Cite: | Cryo-EM structures of the autoinhibitedE. coliATP synthase in three rotational states.
Elife, 5, 2016
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7YXJ
 | | Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and 2,4-PDCA | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GH14974p, ... | | Authors: | Chowdhury, R, Schofield, C.J. | | Deposit date: | 2022-02-16 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans.
Sci Rep, 12, 2022
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7Z18
 | | E. coli C-P lyase bound to a PhnK ABC dimer and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnG, ... | | Authors: | Amstrup, S.K, Sofos, N, Karlsen, J.L, Skjerning, R.B, Boesen, T, Enghild, J.J, Hove-Jensen, B, Brodersen, D.E. | | Deposit date: | 2022-02-24 | | Release date: | 2022-05-25 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (1.98 Å) | | Cite: | Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase.
Nat Commun, 14, 2023
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7Z19
 | | E. coli C-P lyase bound to a single PhnK ABC domain | | Descriptor: | Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnG, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnH, ... | | Authors: | Amstrup, S.K, Sofos, N, Karlsen, J.L, Skjerning, R.B, Boesen, T, Enghild, J.J, Hove-Jensen, B, Brodersen, D.E. | | Deposit date: | 2022-02-24 | | Release date: | 2022-05-25 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase.
Nat Commun, 14, 2023
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7Z17
 | | E. coli C-P lyase bound to a PhnK ABC dimer in an open conformation | | Descriptor: | Alpha-D-ribose 1-methylphosphonate 5-phosphate C-P lyase, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnG, Alpha-D-ribose 1-methylphosphonate 5-triphosphate synthase subunit PhnH, ... | | Authors: | Amstrup, S.K, Sofos, N, Karlsen, J.L, Skjerning, R.B, Boesen, T, Enghild, J.J, Hove-Jensen, B, Brodersen, D.E. | | Deposit date: | 2022-02-24 | | Release date: | 2022-05-25 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | Structural remodelling of the carbon-phosphorus lyase machinery by a dual ABC ATPase.
Nat Commun, 14, 2023
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4OT9
 | | crystal structure of the C-terminal domain of p100/NF-kB2 | | Descriptor: | Nuclear factor NF-kappa-B p100 subunit, SULFATE ION | | Authors: | Tao, Z.H, Huang, D.B, Fusco, A, Gupta, K, Ware, C.F, Duynne, G.V. | | Deposit date: | 2014-02-13 | | Release date: | 2015-01-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | p100/I kappa B delta sequesters and inhibits NF-kappa B through kappaBsome formation.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1UUZ
 | | IVY:A NEW FAMILY OF PROTEIN | | Descriptor: | INHIBITOR OF VERTEBRATE LYSOZYME, LYSOZYME C | | Authors: | Abergel, C, Lembo, F, Byrne, D, Maza, C, Claverie, J.M. | | Deposit date: | 2004-01-12 | | Release date: | 2004-01-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and Evolution of the Ivy Protein Family, Unexpected Lysozyme Inhibitors in Gram-Negative Bacteria.
Proc.Natl.Acad.Sci.USA, 104, 2007
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2A4Q
 | | HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound. | | Descriptor: | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ... | | Authors: | Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V. | | Deposit date: | 2005-06-29 | | Release date: | 2006-07-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15, 2005
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3QLG
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3QLF
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1QZ2
 | | Crystal Structure of FKBP52 C-terminal Domain complex with the C-terminal peptide MEEVD of Hsp90 | | Descriptor: | 5-mer peptide from Heat shock protein HSP 90, FK506-binding protein 4 | | Authors: | Wu, B, Li, P, Lou, Z, Liu, Y, Ding, Y, Shu, C, Shen, B, Rao, Z. | | Deposit date: | 2003-09-15 | | Release date: | 2004-06-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 3D structure of human FK506-binding protein 52: Implications for the assembly of the glucocorticoid receptor/Hsp90/immunophilin heterocomplex.
Proc.Natl.Acad.Sci.USA, 101, 2004
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2A4G
 | | Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | | Descriptor: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | | Authors: | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | | Deposit date: | 2005-06-28 | | Release date: | 2006-07-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
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4PA6
 | | Structure of NavMS pore and C-terminal domain crystallised in the presence of channel blocking compound | | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | | Deposit date: | 2014-04-07 | | Release date: | 2014-06-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.36 Å) | | Cite: | Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2DYS
 | | Bovine heart cytochrome C oxidase modified by DCCD | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Shinzawa-Itoh, K, Aoyama, H, Muramoto, K, Kurauchi, T, Mizushima, T, Yamashita, E, Tsukihara, T, Yoshikawa, S. | | Deposit date: | 2006-09-16 | | Release date: | 2007-04-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures and physiological roles of 13 integral lipids of bovine heart cytochrome c oxidase
Embo J., 26, 2007
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2EIL
 | | Cadmium ion binding structure of bovine heart cytochrome C oxidase in the fully oxidized state | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Muramoto, K, Hirata, K, Shinzawa-Itoh, K, Yoko-o, S, Yamashita, E, Aoyama, H, Tsukihara, T, Yoshikawa, S. | | Deposit date: | 2007-03-13 | | Release date: | 2007-05-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A histidine residue acting as a controlling site for dioxygen reduction and proton pumping by cytochrome c oxidase
Proc.Natl.Acad.Sci.Usa, 104, 2007
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3HK5
 | | Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinarate | | Descriptor: | CARBONATE ION, CHLORIDE ION, D-arabinaric acid, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C. | | Deposit date: | 2009-05-22 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
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3HK8
 | | Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Arabinohydroxamate | | Descriptor: | CARBONATE ION, CHLORIDE ION, D-arabinohydroxamic acid, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C. | | Deposit date: | 2009-05-22 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
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3HKA
 | | Crystal structure of uronate isomerase from Bacillus halodurans complexed with zinc and D-Fructuronate | | Descriptor: | CARBONATE ION, CHLORIDE ION, D-fructuronic acid, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Nguyen, T.T, Raushel, F.M, Almo, S.C. | | Deposit date: | 2009-05-22 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The mechanism of the reaction catalyzed by uronate isomerase illustrates how an isomerase may have evolved from a hydrolase within the amidohydrolase superfamily.
Biochemistry, 48, 2009
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5S9N
 | | AUTOTAXIN, [4-(trifluoromethoxy)phenyl]methyl (3aS,6aS)-2-(1H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate, 1.80A, P212121, Rfree=23.3% | | Descriptor: | CALCIUM ION, CHLORIDE ION, Isoform 2 of Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | | Authors: | Stihle, M, Hunziker, D, Benz, J, Mattei, P, Rudolph, M.G. | | Deposit date: | 2021-03-31 | | Release date: | 2022-04-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of a rat Autotaxin complex
To be published
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1SQB
 | | Crystal Structure Analysis of Bovine Bc1 with Azoxystrobin | | Descriptor: | Cytochrome b, Cytochrome c1, heme protein, ... | | Authors: | Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D. | | Deposit date: | 2004-03-18 | | Release date: | 2004-09-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex
J.Mol.Biol., 341, 2004
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1SCV
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6ALC
 | | CREBBP bromodomain in complex with Cpd 4 (1-(1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) | | Descriptor: | 1,2-ETHANEDIOL, 1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one, CREB-binding protein, ... | | Authors: | Murray, J.M. | | Deposit date: | 2017-08-07 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.391 Å) | | Cite: | Design and synthesis of a biaryl series as inhibitors for the bromodomains of CBP/P300.
Bioorg. Med. Chem. Lett., 28, 2018
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3NO0
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7K2F
 | | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GAEETGE] | | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[GAEETGE] | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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7K2I
 | | Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[GAPETGE] | | Descriptor: | Kelch-like ECH-associated protein 1, Nrf2 cyclic peptide,c[GAPETGE] | | Authors: | Muellers, S.N, Allen, K.N. | | Deposit date: | 2020-09-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
J.Am.Chem.Soc., 143, 2021
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