6Y8K
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![BU of 6y8k by Molmil](/molmil-images/mine/6y8k) | Crystal structure of CD137 in complex with the cyclic peptide BCY10916 | Descriptor: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Upadhyaya, P, Kublin, J, Dods, R, Kristensson, J, Lahdenranta, J, Kleyman, M, Repash, E, Ma, J, Mudd, G, Van Rietschoten, K, Haines, E, Harrison, H, Beswick, P, Chen, L, McDonnell, K, Battula, S, Hurov, K, Keen, N. | Deposit date: | 2020-03-05 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Anticancer immunity induced by a synthetic tumor-targeted CD137 agonist. J Immunother Cancer, 9, 2021
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3A6O
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![BU of 3a6o by Molmil](/molmil-images/mine/3a6o) | Crystal structure of Thermoactinomyces vulgaris R-47 alpha-amylase 2/acarbose complex | Descriptor: | ACARBOSE DERIVED PENTASACCHARIDE, CALCIUM ION, Neopullulanase 2 | Authors: | Ohtaki, A, Mizuno, M, Tonozuka, T, Sakano, Y, Kamitori, S. | Deposit date: | 2009-09-07 | Release date: | 2009-09-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Complex structures of Thermoactinomyces vulgaris R-47 alpha-amylase 2 with acarbose and cyclodextrins demonstrate the multiple substrate recognition mechanism J.BIOL.CHEM., 279, 2004
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4Z41
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![BU of 4z41 by Molmil](/molmil-images/mine/4z41) | X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Compound with a S,O Bidentate Ligand (9a=Chloro-(1-(3'-hydroxy)-3-(methylthio)-3-thioxo-prop-1-en-1-olate-O,S)-(dimethylsulfoxide-S)-platinum(II)) | Descriptor: | 1,2-ETHANEDIOL, 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol, DIMETHYL SULFOXIDE, ... | Authors: | Merlino, A. | Deposit date: | 2015-04-01 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Platinum(II) Complexes with O,S Bidentate Ligands: Biophysical Characterization, Antiproliferative Activity, and Crystallographic Evidence of Protein Binding. Inorg.Chem., 54, 2015
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3BAY
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![BU of 3bay by Molmil](/molmil-images/mine/3bay) | N298S Variant of Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, CALCIUM ION, ... | Authors: | Fredriksen, J.R, Maurus, R, Brayer, G.D. | Deposit date: | 2007-11-08 | Release date: | 2008-03-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity Biochemistry, 47, 2008
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4Z1U
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![BU of 4z1u by Molmil](/molmil-images/mine/4z1u) | MIF in complex with 1-(4-methylphenyl)-3-phenylprop-2-yn-1-one | Descriptor: | GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION | Authors: | Cho, T.Y. | Deposit date: | 2015-03-27 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for decreased induction of class IB PI3-kinases expression by MIF inhibitors. J. Cell. Mol. Med., 21, 2017
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6XA9
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![BU of 6xa9 by Molmil](/molmil-images/mine/6xa9) | SARS CoV-2 PLpro in complex with ISG15 C-terminal domain propargylamide | Descriptor: | GLYCEROL, ISG15 CTD-propargylamide, Non-structural protein 3, ... | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | Deposit date: | 2020-06-04 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2. Embo J., 39, 2020
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6XAA
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![BU of 6xaa by Molmil](/molmil-images/mine/6xaa) | SARS CoV-2 PLpro in complex with ubiquitin propargylamide | Descriptor: | Non-structural protein 3, Ubiquitin-propargylamide, ZINC ION | Authors: | Klemm, T, Calleja, D.J, Richardson, L.W, Lechtenberg, B.C, Komander, D. | Deposit date: | 2020-06-04 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism and inhibition of the papain-like protease, PLpro, of SARS-CoV-2. Embo J., 39, 2020
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5LRX
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![BU of 5lrx by Molmil](/molmil-images/mine/5lrx) | Structure of A20 OTU domain bound to ubiquitin | Descriptor: | Polyubiquitin-B, Tumor necrosis factor alpha-induced protein 3 | Authors: | Mevissen, T.E.T, Kulathu, Y, Mulder, M.P.C, Geurink, P.P, Maslen, S.L, Gersch, M, Elliott, P.R, Burke, J.E, van Tol, B.D.M, Akutsu, M, El Oualid, F, Kawasaki, M, Freund, S.M.V, Ovaa, H, Komander, D. | Deposit date: | 2016-08-22 | Release date: | 2016-10-19 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Molecular basis of Lys11-polyubiquitin specificity in the deubiquitinase Cezanne. Nature, 538, 2016
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5CHV
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![BU of 5chv by Molmil](/molmil-images/mine/5chv) | Crystal structure of USP18-ISG15 complex | Descriptor: | CHLORIDE ION, SULFATE ION, Ubiquitin-like protein ISG15, ... | Authors: | Fritz, G, Basters, A. | Deposit date: | 2015-07-10 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Structural basis of the specificity of USP18 toward ISG15. Nat. Struct. Mol. Biol., 24, 2017
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3ZNH
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![BU of 3znh by Molmil](/molmil-images/mine/3znh) | Crimean Congo Hemorrhagic Fever Virus OTU domain in complex with ubiquitin-propargyl. | Descriptor: | POLYUBIQUITIN-B, UBIQUITIN THIOESTERASE | Authors: | Ekkebus, R, vanKasteren, S.I, Kulathu, Y, Scholten, A, Berlin, I, deJong, A, Goerdayal, G, Neefjes, J, Heck, A.J.R, Komander, D, Ovaa, H. | Deposit date: | 2013-02-14 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | On Terminal Alkynes that Can React with Active-Site Cysteine Nucleophiles in Proteases. J.Am.Chem.Soc., 135, 2013
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6CC9
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![BU of 6cc9 by Molmil](/molmil-images/mine/6cc9) | NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc | Descriptor: | (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, ... | Authors: | Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M. | Deposit date: | 2018-02-06 | Release date: | 2018-09-05 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site. Cell Chem Biol, 25, 2018
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6YU4
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![BU of 6yu4 by Molmil](/molmil-images/mine/6yu4) | Crystal structure of MhsT in complex with L-4F-phenylalanine | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 4-FLUORO-L-PHENYLALANINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | Deposit date: | 2020-04-25 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition. Embo J., 40, 2021
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3BAJ
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![BU of 3baj by Molmil](/molmil-images/mine/3baj) | Human Pancreatic Alpha-Amylase in Complex with Nitrate and Acarbose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, CALCIUM ION, ... | Authors: | Fredriksen, J.R, Maurus, R, Brayer, G.D. | Deposit date: | 2007-11-07 | Release date: | 2008-03-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity Biochemistry, 47, 2008
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4ARF
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![BU of 4arf by Molmil](/molmil-images/mine/4arf) | CRYSTAL STRUCTURE OF THE PEPTIDASE DOMAIN OF COLLAGENASE H FROM CLOSTRIDIUM HISTOLYTICUM IN COMPLEX WITH THE PEPTIDIC INHIBITOR ISOAMYLPHOSPHONYL-GLY-PRO-ALA AT 1.77 ANGSTROM RESOLUTION. | Descriptor: | CALCIUM ION, COLH PROTEIN, ISOAMYLPHOSPHONYL-GLY-PRO-ALA, ... | Authors: | Eckhard, U, Brandstetter, H. | Deposit date: | 2012-04-23 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural Basis for Activity Regulation and Substrate Preference of Clostridial Collagenases G, H, and T. J.Biol.Chem., 288, 2013
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5NCQ
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![BU of 5ncq by Molmil](/molmil-images/mine/5ncq) | Structure of the (SR) Ca2+-ATPase bound to a Tetrahydrocarbazole and TNP-ATP | Descriptor: | (1~{S})-~{N}-[(4-bromophenyl)methyl]-7-(trifluoromethyloxy)-2,3,4,9-tetrahydro-1~{H}-carbazol-1-amine, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM ION, ... | Authors: | Bublitz, M, Kjellerup, L, O'Hanlon Cohrt, K, Gordon, S, Mortensen, A.L, Clausen, J.D, Pallin, D, Hansen, J.B, Brown, W.D, Fuglsang, A, Winther, A.-M.L. | Deposit date: | 2017-03-06 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Tetrahydrocarbazoles are a novel class of potent P-type ATPase inhibitors with antifungal activity. PLoS ONE, 13, 2018
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3ZBY
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![BU of 3zby by Molmil](/molmil-images/mine/3zby) | Ligand-free structure of CYP142 from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), P450 HEME-THIOLATE PROTEIN, ... | Authors: | Garcia-Fernandez, E, Frank, D.J, Galan, B, Kells, P.M, Podust, L.M, Garcia, J.L, Ortiz de Montellano, P.R. | Deposit date: | 2012-11-13 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
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4AR8
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![BU of 4ar8 by Molmil](/molmil-images/mine/4ar8) | Crystal structure of the peptidase domain of collagenase T from Clostridium tetani complexed with the peptidic inhibitor isoamyl- phosphonyl-Gly-Pro-Ala at 2.05 angstrom resolution. | Descriptor: | CALCIUM ION, COLLAGENASE COLT, ISOAMYL-PHOSPHONYL-GLY-PRO-ALA, ... | Authors: | Eckhard, U, Brandstetter, H. | Deposit date: | 2012-04-21 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Basis for Activity Regulation and Substrate Preference of Clostridial Collagenases G, H, and T. J.Biol.Chem., 288, 2013
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6CCX
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![BU of 6ccx by Molmil](/molmil-images/mine/6ccx) | NMR data-driven model of GTPase KRas-GMPPNP:Cmpd2 complex tethered to a nanodisc | Descriptor: | (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, ... | Authors: | Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M. | Deposit date: | 2018-02-07 | Release date: | 2018-09-05 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site. Cell Chem Biol, 25, 2018
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6CCH
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![BU of 6cch by Molmil](/molmil-images/mine/6cch) | NMR data-driven model of GTPase KRas-GMPPNP tethered to a nanodisc (E3 state) | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Apolipoprotein A-I, GTPase KRas, ... | Authors: | Fang, Z, Marshall, C.B, Nishikawa, T, Gossert, A.D, Jansen, J.M, Jahnke, W, Ikura, M. | Deposit date: | 2018-02-07 | Release date: | 2018-08-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Inhibition of K-RAS4B by a Unique Mechanism of Action: Stabilizing Membrane-Dependent Occlusion of the Effector-Binding Site. Cell Chem Biol, 25, 2018
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4APY
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![BU of 4apy by Molmil](/molmil-images/mine/4apy) | Ethylene glycol-bound form of P450 CYP125A3 from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, P450 HEME-THIOLATE PROTEIN, ... | Authors: | Frank, D.J, Garcia Fernandez, E, Kells, P.M, Garcia Lopez, J.L, Podust, L.M, Ortiz de Montellano, P.R. | Deposit date: | 2012-04-09 | Release date: | 2013-02-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Highly Conserved Mycobacterial Cholesterol Catabolic Pathway. Environ.Microbiol., 15, 2013
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3BW7
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![BU of 3bw7 by Molmil](/molmil-images/mine/3bw7) | |
4RUX
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![BU of 4rux by Molmil](/molmil-images/mine/4rux) | |
5E6J
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![BU of 5e6j by Molmil](/molmil-images/mine/5e6j) | |
4UEL
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![BU of 4uel by Molmil](/molmil-images/mine/4uel) | UCH-L5 in complex with ubiquitin-propargyl bound to the RPN13 DEUBAD domain | Descriptor: | POLYUBIQUITIN-B, PROTEASOMAL UBIQUITIN RECEPTOR ADRM1, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE ISOZYME L5 | Authors: | Sahtoe, D.D, Van Dijk, W.J, El Oualid, F, Ekkebus, R, Ovaa, H, Sixma, T.K. | Deposit date: | 2014-12-18 | Release date: | 2015-03-04 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanism of Uch-L5 Activation and Inhibition by Deubad Domains in Rpn13 and Ino80G. Mol.Cell, 57, 2015
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6ZHH
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![BU of 6zhh by Molmil](/molmil-images/mine/6zhh) | Ca2+-ATPase from Listeria Monocytogenes with G4 insertion. | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase, ... | Authors: | Basse Hansen, S, Dyla, M, Neumann, C, Quistgaard, E.M.H, Lauwring Andersen, J, Kjaergaard, M, Nissen, P. | Deposit date: | 2020-06-23 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Crystal Structure of the Ca 2+ -ATPase 1 from Listeria monocytogenes reveals a Pump Primed for Dephosphorylation. J.Mol.Biol., 433, 2021
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