5LTQ
 
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1XG2
 | | Crystal structure of the complex between pectin methylesterase and its inhibitor protein | | Descriptor: | Pectinesterase 1, Pectinesterase inhibitor | | Authors: | Di Matteo, A, Raiola, A, Camardella, L, Giovane, A, Bonivento, D, De Lorenzo, G, Cervone, F, Bellincampi, D, Tsernoglou, D. | | Deposit date: | 2004-09-16 | | Release date: | 2005-03-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Basis for the Interaction between Pectin Methylesterase and a Specific Inhibitor Protein
Plant Cell, 17, 2005
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5LTR
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8OW2
 | | Crystal structure of the p110alpha catalytic subunit from homo sapiens in complex with activator 1938 | | Descriptor: | 1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L. | | Deposit date: | 2023-04-26 | | Release date: | 2023-05-24 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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2YLY
 | | Sulfonamides as selective Estrogen Receptor beta Agonists. | | Descriptor: | ESTROGEN RECEPTOR BETA, N-cyclopropyl-4-oxidanyl-N-[(2R)-2-oxidanyl-2-phenyl-propyl]benzenesulfonamide, SULFATE ION | | Authors: | Roberts, L.R, Armour, D, Barker, C, Bazin, R, Bess, K, Brown, A, Favor, D, Ellis, D, MacKenny, M, Pullen, N, Stennett, A, Strand, L, Styles, M, Phillips, C. | | Deposit date: | 2011-06-06 | | Release date: | 2012-06-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Sulfonamides as Selective Oestrogen Receptor Beta Agonists.
Bioorg.Med.Chem.Lett., 21, 2011
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1FOD
 | | STRUCTURE OF A MAJOR IMMUNOGENIC SITE ON FOOT-AND-MOUTH DISEASE VIRUS | | Descriptor: | FOOT AND MOUTH DISEASE VIRUS | | Authors: | Logan, D.T, Lea, S, Lewis, R, Stuart, D, Fry, E. | | Deposit date: | 1993-10-27 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of a major immunogenic site on foot-and-mouth disease virus.
Nature, 362, 1993
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1Y81
 | | Conserved hypothetical protein Pfu-723267-001 from Pyrococcus furiosus | | Descriptor: | COENZYME A, THIOCYANATE ION, UNKNOWN ATOM OR ION, ... | | Authors: | Zhao, M, Chang, J, Habel, J, Xu, H, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Horanyi, P, Florence, Q, Tempel, W, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-12-10 | | Release date: | 2005-01-25 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Conserved hypothetical protein Pfu-723267-001 from Pyrococcus furiosus
To be published
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1YBZ
 | | Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001 | | Descriptor: | UNKNOWN ATOM OR ION, chorismate mutase | | Authors: | Lee, D, Chen, L, Nguyen, D, Dillard, B.D, Tempel, W, Habel, J, Zhou, W, Chang, S.-H, Kelley, L.-L.C, Liu, Z.-J, Lin, D, Zhang, H, Praissman, J, Bridger, S, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Conserved hypothetical protein from Pyrococcus furiosus Pfu-1581948-001
To be published
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1HOY
 | | NMR STRUCTURE OF THE COMPLEX BETWEEN A-BUNGAROTOXIN AND A MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR | | Descriptor: | LONG NEUROTOXIN 1, MIMOTOPE OF THE NICOTINIC ACETYLCHOLINE RECEPTOR | | Authors: | Scarselli, M, Spiga, O, Ciutti, A, Bracci, L, Lelli, B, Lozzi, L, Calamandrei, D, Bernini, A, Di Maro, D, Niccolai, N, Neri, P. | | Deposit date: | 2000-12-12 | | Release date: | 2000-12-27 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | NMR structure of alpha-bungarotoxin free and bound to a mimotope of the nicotinic acetylcholine receptor.
Biochemistry, 41, 2002
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1Y82
 | | Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus | | Descriptor: | UNKNOWN ATOM OR ION, hypothetical protein | | Authors: | Horanyi, P, Tempel, W, Habel, J, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Florence, Q, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-12-10 | | Release date: | 2005-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus
To be published
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1KMN
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1KMM
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1HUC
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4QR0
 | | Crystal structure of Streptococcus pyogenes Cas2 at pH 5.6 | | Descriptor: | CRISPR-associated endoribonuclease Cas2 | | Authors: | Bae, E, Ka, D, Kim, D. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional characterization of Streptococcus pyogenes Cas2 protein under different pH conditions
Biochem.Biophys.Res.Commun., 451, 2014
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5FWQ
 | | Apo structure of human Leukotriene A4 hydrolase | | Descriptor: | ACETATE ION, HUMAN LEUKOTRIENE A4 HYDROLASE, IMIDAZOLE, ... | | Authors: | Wittmann, S.K, Kalinowsky, L, Kramer, J, Bloecher, R, Steinhilber, D, Pogoryelov, D, Proschak, E, Heering, J. | | Deposit date: | 2016-02-19 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Thermodynamic properties of leukotriene A4hydrolase inhibitors.
Bioorg.Med.Chem., 24, 2016
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7BJ1
 | | Crystal structure of SMYD3 with diperodon S enantiomer bound to allosteric site | | Descriptor: | ACETATE ION, Diperodon (S-enantiomer), GLYCEROL, ... | | Authors: | Talibov, V.O, Cederfelt, D, Dobritzsch, D, Danielson, U.H. | | Deposit date: | 2021-01-13 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase
Chembiochem, 22, 2021
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4QR1
 | | Crystal structure of Streptococcus pyogenes Cas2 at pH 6.5 | | Descriptor: | CRISPR-associated endoribonuclease Cas2 | | Authors: | Bae, E, Ka, D, Kim, D. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.193 Å) | | Cite: | Structural and functional characterization of Streptococcus pyogenes Cas2 protein under different pH conditions
Biochem.Biophys.Res.Commun., 451, 2014
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4QR2
 | | Crystal structure of Streptococcus pyogenes Cas2 at pH 7.5 | | Descriptor: | CRISPR-associated endoribonuclease Cas2 | | Authors: | Bae, E, Ka, D, Kim, D. | | Deposit date: | 2014-06-30 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and functional characterization of Streptococcus pyogenes Cas2 protein under different pH conditions
Biochem.Biophys.Res.Commun., 451, 2014
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8EG6
 | | huCaspase-6 in complex with inhibitor 2a | | Descriptor: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | | Deposit date: | 2022-09-11 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
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8EG5
 | | huCaspase-6 in complex with inhibitor 3a | | Descriptor: | (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ... | | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | | Deposit date: | 2022-09-11 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
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2Y68
 | | Structure-based design of a new series of D-glutamic acid-based inhibitors of bacterial MurD ligase | | Descriptor: | 2-[[2-fluoro-5-[[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]amino]methyl]phenyl]carbonylamino]pentanedioic acid, AZIDE ION, CHLORIDE ION, ... | | Authors: | Tomasic, T, Zidar, N, Sink, R, Kovac, A, Patin, D, Blanot, D, Contreras-Martel, C, Dessen, A, Muller-Premru, M, Zega, A, Gobec, S, Peterlin-Masic, L, Kikelj, D. | | Deposit date: | 2011-01-20 | | Release date: | 2011-06-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structure-based design of a new series of D-glutamic acid based inhibitors of bacterial UDP-N-acetylmuramoyl-L-alanine:D-glutamate ligase (MurD).
J. Med. Chem., 54, 2011
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5CLM
 | | 1,4-Oxazine BACE1 inhibitors | | Descriptor: | Beta-secretase 1, CHLORIDE ION, IODIDE ION, ... | | Authors: | Rombouts, F, Tresadern, G, Delgado, O, Martinez Lamenca, C, Van Gool, M, Garcia-Molina, A, Alonso De Diego, S, Oehlrich, D, Prokopcova, H, Alonso, J.M, Austin, N, Borghys, H, Van Brandt, S, Surkyn, M, De Cleyn, M, Vos, A, Alexander, R, MacDonald, G, Moechars, D, Trabanco, A, Gijsen, H. | | Deposit date: | 2015-07-16 | | Release date: | 2015-09-30 | | Last modified: | 2015-11-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | 1,4-Oxazine beta-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads.
J.Med.Chem., 58, 2015
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4RED
 | | Crystal structure of human AMPK alpha1 KD-AID with K43A mutation | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | | Authors: | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | | Deposit date: | 2014-09-22 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
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4RER
 | | Crystal structure of the phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex bound to AMP and cyclodextrin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, ... | | Authors: | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | | Deposit date: | 2014-09-23 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (4.047 Å) | | Cite: | Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
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4REW
 | | Crystal structure of the non-phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | | Deposit date: | 2014-09-24 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (4.58 Å) | | Cite: | Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
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