6E9L
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8TNO
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5EMY
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![BU of 5emy by Molmil](/molmil-images/mine/5emy) | Human Pancreatic Alpha-Amylase in complex with the mechanism based inactivator glucosyl epi-cyclophellitol | Descriptor: | (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, CALCIUM ION, CHLORIDE ION, ... | Authors: | Caner, S, Brayer, G.D. | Deposit date: | 2015-11-06 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.231 Å) | Cite: | Glucosyl epi-cyclophellitol allows mechanism-based inactivation and structural analysis of human pancreatic alpha-amylase. Febs Lett., 590, 2016
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6OI1
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![BU of 6oi1 by Molmil](/molmil-images/mine/6oi1) | Crystal structure of human WDR5 in complex with monomethyl L-arginine | Descriptor: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, GLYCEROL, SULFATE ION, ... | Authors: | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | Deposit date: | 2019-04-08 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5. Biochemistry, 59, 2020
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6AK8
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![BU of 6ak8 by Molmil](/molmil-images/mine/6ak8) | Pre-catalytic Ternary Complex of Human DNA Polymerase Mu with Templating Adenine and Incoming Ca-8oxodGTP | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Chang, Y.K, Wu, W.J, Tsai, M.D. | Deposit date: | 2018-08-30 | Release date: | 2019-05-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions. J.Am.Chem.Soc., 141, 2019
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6LYD
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![BU of 6lyd by Molmil](/molmil-images/mine/6lyd) | Crystal Structure of mimivirus UNG Y322L in complex with UGI | Descriptor: | Probable uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor | Authors: | Pathak, D, Kwon, E, Kim, D.Y. | Deposit date: | 2020-02-14 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.598 Å) | Cite: | Selective interactions between mimivirus uracil-DNA glycosylase and inhibitory proteins determined by a single amino acid. J.Struct.Biol., 211, 2020
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6AJ5
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![BU of 6aj5 by Molmil](/molmil-images/mine/6aj5) | Crystal structure of ligand-free type DHODH from Eimeria tenella | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | Authors: | Shiba, T, Inaoka, D.K, Sato, D, Hartuti, E.D, Amalia, E, Nagahama, M, Yoshioka, Y, Matsubayashi, M, Balogun, E.O, Tsuji, N, Kita, K, Harada, S. | Deposit date: | 2018-08-27 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target. Genes (Basel), 11, 2020
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6S7W
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![BU of 6s7w by Molmil](/molmil-images/mine/6s7w) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(5-(Azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(quinolin-4-yl)acetamide | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | Deposit date: | 2019-07-07 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode. J.Med.Chem., 62, 2019
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6ZW4
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![BU of 6zw4 by Molmil](/molmil-images/mine/6zw4) | C14 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | Descriptor: | vipp1 | Authors: | Liu, J.W, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | Deposit date: | 2020-07-27 | Release date: | 2021-08-04 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. Cell, 184, 2021
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6ZW5
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![BU of 6zw5 by Molmil](/molmil-images/mine/6zw5) | C15 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | Descriptor: | vipp1 | Authors: | Liu, J.W, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | Deposit date: | 2020-07-27 | Release date: | 2021-08-04 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. Cell, 184, 2021
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8C77
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![BU of 8c77 by Molmil](/molmil-images/mine/8c77) | Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ... | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | Deposit date: | 2023-01-12 | Release date: | 2023-01-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 67, 2024
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6E9W
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![BU of 6e9w by Molmil](/molmil-images/mine/6e9w) | Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor | Descriptor: | N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 1, SULFATE ION | Authors: | Judge, R.A, Hobson, A.D. | Deposit date: | 2018-08-01 | Release date: | 2018-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design. J. Med. Chem., 61, 2018
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6ZW6
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![BU of 6zw6 by Molmil](/molmil-images/mine/6zw6) | C16 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | Descriptor: | vipp1 | Authors: | Liu, J, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | Deposit date: | 2020-07-27 | Release date: | 2021-08-04 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (7.4 Å) | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. Cell, 184, 2021
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6ZW7
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![BU of 6zw7 by Molmil](/molmil-images/mine/6zw7) | C17 symmetry: Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. | Descriptor: | vipp1 | Authors: | Liu, J, Tassinari, M, Souza, D.P, Naskar, S, Noel, J.K, Bohuszewicz, O, Buck, M, Williams, T.A, Baum, B, Low, H.H. | Deposit date: | 2020-07-27 | Release date: | 2021-08-04 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (9.4 Å) | Cite: | Bacterial Vipp1 and PspA are members of the ancient ESCRT-III membrane-remodeling superfamily. Cell, 184, 2021
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5ISN
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![BU of 5isn by Molmil](/molmil-images/mine/5isn) | NMR solution structure of macro domain from Venezuelan equine encephalitis virus | Descriptor: | Non-structural polyprotein | Authors: | Makrynitsa, G.I, Ntonti, D, Marousis, K.D, Tsika, A.C, Papageorgiou, N, Coutard, B, Bentrop, D, Spyroulias, G.A. | Deposit date: | 2016-03-15 | Release date: | 2017-11-29 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Conformational plasticity of the VEEV macro domain is important for binding of ADP-ribose. J.Struct.Biol., 206, 2019
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6ED7
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![BU of 6ed7 by Molmil](/molmil-images/mine/6ed7) | Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772 | Descriptor: | 2-[(2-nitrophenyl)sulfanyl]acetohydrazide, 7,8-diamino-pelargonic acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Brown, C.M, Zlitni, S, Chan, J, Brown, E.D, Junop, M.S. | Deposit date: | 2018-08-08 | Release date: | 2019-08-21 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772 To Be Published
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6EH4
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4XFO
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5LUE
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![BU of 5lue by Molmil](/molmil-images/mine/5lue) | Minor form of the recombinant cytotoxin-1 from N. oxiana | Descriptor: | VC-1=CYTOTOXIN | Authors: | Dubovskii, P.V, Dubinnyi, M.A, Shulepko, M.A, Lyukmanova, E.N, Dolgikh, D.A, Kirpichnikov, M.P, Efremov, R.G. | Deposit date: | 2016-09-08 | Release date: | 2017-09-20 | Last modified: | 2019-05-08 | Method: | SOLUTION NMR | Cite: | Structural and Dynamic "Portraits" of Recombinant and Native Cytotoxin I from Naja oxiana: How Close Are They? Biochemistry, 56, 2017
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6AGK
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![BU of 6agk by Molmil](/molmil-images/mine/6agk) | The structure of CH-II-77-tubulin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Chen, H, Arnst, K, Wang, Y, Miller, D, Li, W. | Deposit date: | 2018-08-13 | Release date: | 2019-08-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties. J.Med.Chem., 63, 2020
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5LXQ
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![BU of 5lxq by Molmil](/molmil-images/mine/5lxq) | Structure of PRL-1 in complex with the Bateman domain of CNNM2 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Metal transporter CNNM2, Protein tyrosine phosphatase type IVA 1, ... | Authors: | GIMENEZ-Mascarell, P, Oyenarte, I, Hardy, S, Breiderhoff, T, Stuiver, M, Kostantin, E, Diercks, T, Pey, A.L, Ereno-ORBEA, J, Martinez-Chantar, M.L, Khalaf-Nazzal, R, Claverie-Martin, F, Muller, D, Tremblay, M, Martinez-Cruz, L.A. | Deposit date: | 2016-09-22 | Release date: | 2016-12-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.335 Å) | Cite: | Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2. J. Biol. Chem., 292, 2017
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6RFW
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![BU of 6rfw by Molmil](/molmil-images/mine/6rfw) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1039 | Descriptor: | 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide, FORMIC ACID, GLYCEROL, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2019-04-16 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.183 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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5I0J
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8TGB
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![BU of 8tgb by Molmil](/molmil-images/mine/8tgb) | Crystal structure of root lateral formation protein (RLF) b5-domain from Oryza sativa | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, root lateral formation protein (RLF) | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Benson, D.R. | Deposit date: | 2023-07-12 | Release date: | 2023-12-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The N-terminal intrinsically disordered region of Ncb5or docks with the cytochrome b 5 core to form a helical motif that is of ancient origin. Proteins, 92, 2024
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5LGO
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![BU of 5lgo by Molmil](/molmil-images/mine/5lgo) | Trypsin inhibitors for the treatment of pancreatitis - cpd 15 | Descriptor: | (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-[4-(2-cyclopropylethoxy)-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidin-7-yl]-~{N}-methyl-pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiering, N, D'Arcy, A. | Deposit date: | 2016-07-07 | Release date: | 2016-08-10 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Trypsin inhibitors for the treatment of pancreatitis. Bioorg.Med.Chem.Lett., 26, 2016
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