5TTF
 
 | | Crystal structure of catalytic domain of G9a with MS012 | | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EHMT2, N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine, ... | | Authors: | DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-11-03 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
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4E6P
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8PT3
 | | ERK2 covelently bound to RU77 cyclohexenone based inhibitor | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Sok, P, Poti, A, Remenyi, A. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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6G2V
 | | Crystal structure of the p97 D2 domain in a helical split-washer conformation | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | | Authors: | Stach, L, Morgan, R.M.L, Freemont, P.S. | | Deposit date: | 2018-03-23 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Crystal structure of the catalytic D2 domain of the AAA+ ATPase p97 reveals a putative helical split-washer-type mechanism for substrate unfolding.
Febs Lett., 594, 2020
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8PVR
 | | Cryo-EM structure of horse Nhe9 bound to PI(3,5)P2 | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Sodium/hydrogen exchanger 9 | | Authors: | Kokane, S, Meier, P, Gulati, A, Delemotte, L, Drew, D. | | Deposit date: | 2023-07-18 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | PIP2 mediated oligomerization of the endosomal sodium/proton exchanger NHE9
To Be Published
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4MDF
 | | Structure of bacterial polynucleotide kinase Michaelis complex bound to GTP and DNA | | Descriptor: | CITRIC ACID, DNA (5'-D(*CP*CP*TP*GP*T)-3'), GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Shuman, S, Das, U, Wang, L.K, Smith, P, Jacewicz, A. | | Deposit date: | 2013-08-22 | | Release date: | 2013-11-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.727 Å) | | Cite: | Structures of bacterial polynucleotide kinase in a Michaelis complex with GTP*Mg2+ and 5'-OH oligonucleotide and a product complex with GDP*Mg2+ and 5'-PO4 oligonucleotide reveal a mechanism of general acid-base catalysis and the determinants of phosphoacceptor recognition.
Nucleic Acids Res., 42, 2014
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2D45
 | | Crystal structure of the MecI-mecA repressor-operator complex | | Descriptor: | 5'-D(P*TP*AP*CP*TP*AP*CP*AP*TP*AP*TP*GP*TP*AP*GP*TP*A)-3', Methicillin resistance regulatory protein mecI | | Authors: | Safo, M.K, Ko, T.-P, Musayev, F.N, Zhao, Q, Wang, A.H.-J, Archer, G.L. | | Deposit date: | 2005-10-09 | | Release date: | 2005-10-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structure of the MecI repressor from Staphylococcus aureus in complex with the cognate DNA operator of mec.
Acta Crystallogr.,Sect.F, 62, 2006
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4XLY
 | | The complex structure of KS-D75C with substrate CPP | | Descriptor: | (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Uncharacterized protein blr2150 | | Authors: | Hu, Y, Zheng, Y, Ko, T.P, Liu, W, Guo, R.T. | | Deposit date: | 2015-01-14 | | Release date: | 2015-02-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure, function and inhibition of ent-kaurene synthase from Bradyrhizobium japonicum.
Sci Rep, 4, 2014
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4PJM
 | | Myosin VI motor domain in the Pi release state, space group P212121 - soaked with PO4 - located in the active site | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ISOPROPYL ALCOHOL, ... | | Authors: | Isabet, T, Benisty, H, Llinas, P, Sweeney, H.L, Houdusse, A. | | Deposit date: | 2014-05-12 | | Release date: | 2015-04-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | How actin initiates the motor activity of Myosin.
Dev.Cell, 33, 2015
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4PVC
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6G5F
 | | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1 | | Descriptor: | Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ... | | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | Deposit date: | 2018-03-29 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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7C19
 | | Crystal structure of a dinucleotide-binding protein (Y224A/Y246A) of ABC transporter endogenously bound to uridylyl-3'-5'-phospho-guanosine (Form II) | | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, CARBONATE ION, ... | | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | | Deposit date: | 2020-05-02 | | Release date: | 2021-03-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and thermodynamic insights into the novel dinucleotide-binding protein of ABC transporter unveils its moonlighting function.
Febs J., 288, 2021
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5ILD
 | | Tobacco 5-epi-aristolochene synthase with MES buffer molecule and Mg2+ ions | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-epi-aristolochene synthase, MAGNESIUM ION | | Authors: | Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
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2WKN
 | | gamma lactamase from Delftia acidovorans | | Descriptor: | FORMAMIDASE, ZINC ION | | Authors: | Isupov, M.N, Line, K, Gonsalvez, I.S, Gange-Harris, P, Lanzotti, M, Saneei, V, Littlechild, J.A. | | Deposit date: | 2009-06-16 | | Release date: | 2010-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | The Structure of Gamma Lactamase from Delftia Acidovorans
To be Published
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4XJZ
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7KHX
 | | Mouse GITR-GITRL complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, ... | | Authors: | Wang, F, Chau, B, West, S.M, Strop, P. | | Deposit date: | 2020-10-22 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.20569849 Å) | | Cite: | Structures of mouse and human GITR-GITRL complexes reveal unique TNF superfamily interactions.
Nat Commun, 12, 2021
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2X4X
 | | Molecular basis of Histone H3K36me3 recognition by the PWWP domain of BRPF1. | | Descriptor: | HISTONE H3.2, PEREGRIN, SULFATE ION | | Authors: | Vezzoli, A, Bonadies, N, Allen, M.D, Freund, S.M.V, Santiveri, C.M, Kvinlaug, B, Huntly, B.J.P, Gottgens, B, Bycroft, M. | | Deposit date: | 2010-02-02 | | Release date: | 2010-04-21 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular Basis of Histone H3K36Me3 Recognition by the Pwwp Domain of Brpf1.
Nat.Struct.Mol.Biol., 17, 2010
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6GCI
 | | Structure of the bongkrekic acid-inhibited mitochondrial ADP/ATP carrier | | Descriptor: | Bongkrekic acid, CARDIOLIPIN, HEXAETHYLENE GLYCOL, ... | | Authors: | Ruprecht, J.J, King, M.S, Pardon, E, Aleksandrova, A.A, Zogg, T, Crichton, P.G, Steyaert, J, Kunji, E.R.S. | | Deposit date: | 2018-04-17 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The Molecular Mechanism of Transport by the Mitochondrial ADP/ATP Carrier.
Cell, 176, 2019
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5LE7
 | | Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_13_D12 | | Descriptor: | DD_D12_13_D12, SULFATE ION | | Authors: | Batyuk, A, Wu, Y, Mittl, P.R, Plueckthun, A. | | Deposit date: | 2016-06-29 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Rigidly connected multispecific artificial binders with adjustable geometries.
Sci Rep, 7, 2017
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5IU6
 | | Crystal structure of E.coli purine nucleoside phosphorylase with 7-deazahypoxanthine | | Descriptor: | 7H-pyrrolo[2,3-d]pyrimidin-4-ol, Purine nucleoside phosphorylase DeoD-type, SULFATE ION | | Authors: | Timofeev, V.I, Abramchik, Y.A, Esipov, R.S, Kuranova, I.P. | | Deposit date: | 2016-03-17 | | Release date: | 2017-04-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Crystal structure of Escherichia coli purine nucleoside phosphorylase in complex with 7-deazahypoxanthine.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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5UDT
 | | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Lactate racemization operon protein LarE, PHOSPHATE ION | | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | | Deposit date: | 2016-12-28 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.188 Å) | | Cite: | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1ACB
 | | CRYSTAL AND MOLECULAR STRUCTURE OF THE BOVINE ALPHA-CHYMOTRYPSIN-EGLIN C COMPLEX AT 2.0 ANGSTROMS RESOLUTION | | Descriptor: | ALPHA-CHYMOTRYPSIN, Eglin C | | Authors: | Bolognesi, M, Frigerio, F, Coda, A, Pugliese, L, Lionetti, C, Menegatti, E, Amiconi, G, Schnebli, H.P, Ascenzi, P. | | Deposit date: | 1991-11-08 | | Release date: | 1993-10-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal and molecular structure of the bovine alpha-chymotrypsin-eglin c complex at 2.0 A resolution.
J.Mol.Biol., 225, 1992
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6FSP
 | | Crystal structure of APRT from Thermus thermophilus | | Descriptor: | PRPP-binding protein, adenine/guanine phosphoribosyltransferase | | Authors: | Timofeev, V.I, Sinitsyna, E.V, Kostromina, M.A, Muravieva, T.I, Makarov, D.A, Mikheeva, O.O, Kuranova, I.P, Esipov, R.S. | | Deposit date: | 2018-02-20 | | Release date: | 2019-03-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of APRT from Thermus thermophilus
To Be Published
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8PXB
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5LIX
 | | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK184 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | | Deposit date: | 2016-07-15 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Acs Chem.Biol., 11, 2016
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