2M96
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2Q7M
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![BU of 2q7m by Molmil](/molmil-images/mine/2q7m) | Crystal structure of human FLAP with MK-591 | 分子名称: | 3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID, Arachidonate 5-lipoxygenase-activating protein | 著者 | Ferguson, A.D. | 登録日 | 2007-06-07 | 公開日 | 2007-08-21 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (4.25 Å) | 主引用文献 | Crystal structure of inhibitor-bound human 5-lipoxygenase-activating protein. Science, 317, 2007
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5ZA3
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8B2T
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![BU of 8b2t by Molmil](/molmil-images/mine/8b2t) | SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne | 分子名称: | 3C-like proteinase nsp5, Nirmatrelvir (reacted form) | 著者 | Owen, C.D, Crawshaw, A.D, Warren, A.J, Trincao, J, Zhao, Y, Brewitz, L, Malla, T.R, Salah, E, Petra, L, Strain-Damerell, C, Schofield, C.J, Walsh, M.A. | 登録日 | 2022-09-14 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.893 Å) | 主引用文献 | Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine. J.Med.Chem., 66, 2023
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4JX5
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4L1P
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8BGC
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![BU of 8bgc by Molmil](/molmil-images/mine/8bgc) | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with compound 2 (AA-CS-9-003) | 分子名称: | 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | 著者 | Kraemer, A, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2022-10-27 | 公開日 | 2022-11-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of a Potent and Selective Naphthyridine-Based Chemical Probe for Casein Kinase 2. Acs Med.Chem.Lett., 14, 2023
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4JO8
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![BU of 4jo8 by Molmil](/molmil-images/mine/4jo8) | Crystal structure of the activating Ly49H receptor in complex with m157 (G1F strain) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell lectin-like receptor 8, M157 | 著者 | Berry, R, Ng, N, Saunders, P.M, Vivian, J.P, Lin, J, Deuss, F.A, Corbett, A.J, Forbes, C.A, Widjaja, J.M, Sullivan, L.C, McAlister, A.D, Perugini, M.A, Call, M.J, Scalzo, A.A, Degli-Esposti, M.A, Coudert, J.D, Beddoe, T, Brooks, A.G, Rossjohn, J. | 登録日 | 2013-03-18 | 公開日 | 2013-05-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Targeting of a natural killer cell receptor family by a viral immunoevasin Nat.Immunol., 14, 2013
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6B23
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4L1U
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![BU of 4l1u by Molmil](/molmil-images/mine/4l1u) | Crystal Structure of Human Rtf1 Plus3 Domain in Complex with Spt5 CTR Phosphopeptide | 分子名称: | GLYCEROL, RNA polymerase-associated protein RTF1 homolog, SULFATE ION, ... | 著者 | Wier, A.D, Heroux, A, VanDemark, A.P. | 登録日 | 2013-06-03 | 公開日 | 2013-10-02 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.424 Å) | 主引用文献 | Structural basis for Spt5-mediated recruitment of the Paf1 complex to chromatin. Proc.Natl.Acad.Sci.USA, 110, 2013
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6B0X
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6B3E
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8A1E
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![BU of 8a1e by Molmil](/molmil-images/mine/8a1e) | Rabies virus glycoprotein in complex with Fab fragments of 17C7 and 1112-1 neutralizing antibodies | 分子名称: | Fab 1112-1 heavy chain variable domain, Fab 1112-1 light chain variable domain, Fab 17C7 heavy chain variable domain, ... | 著者 | Ng, W.M, Fedosyuk, S, English, S, Augusto, G, Berg, A, Thorley, L, Haselon, A.S, Segireddy, R.R, Bowden, T.A, Douglas, A.D. | 登録日 | 2022-06-01 | 公開日 | 2022-08-17 | 最終更新日 | 2022-09-28 | 実験手法 | ELECTRON MICROSCOPY (2.83 Å) | 主引用文献 | Structure of trimeric pre-fusion rabies virus glycoprotein in complex with two protective antibodies. Cell Host Microbe, 30, 2022
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4JX4
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4FQO
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![BU of 4fqo by Molmil](/molmil-images/mine/4fqo) | Crystal Structure of Calcium-Loaded S100B Bound to SBi4211 | 分子名称: | 4,4'-[heptane-1,7-diylbis(oxy)]dibenzenecarboximidamide, CALCIUM ION, Protein S100-B | 著者 | McKnight, L.E, Raman, E.P, Bezawada, P, Kudrimoti, S, Wilder, P.T, Hartman, K.G, Toth, E.A, Coop, A, MacKerrell, A.D, Weber, D.J. | 登録日 | 2012-06-25 | 公開日 | 2012-10-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structure-Based Discovery of a Novel Pentamidine-Related Inhibitor of the Calcium-Binding Protein S100B. ACS Med Chem Lett, 3, 2012
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4IRA
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![BU of 4ira by Molmil](/molmil-images/mine/4ira) | CobR in complex with FAD | 分子名称: | 4-hydroxyphenylacetate 3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | 著者 | Lawrence, A.D, Scott, A.F, Warren, M.J, Pickersgill, R.W. | 登録日 | 2013-01-14 | 公開日 | 2014-01-29 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Biophysical characterisation and structure-function analysis of Brucella melitensis CobR: Protein-flavin interactions determine function and stability To be Published
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4JX6
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6BIC
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![BU of 6bic by Molmil](/molmil-images/mine/6bic) | 2.25 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | 分子名称: | (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate, 3C-like protease | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | 登録日 | 2017-11-01 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease. Proteins, 87, 2019
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6BIB
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![BU of 6bib by Molmil](/molmil-images/mine/6bib) | 1.95 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | 分子名称: | 3C-like protease, benzyl [(9S,12S,15S)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | 登録日 | 2017-11-01 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease. Proteins, 87, 2019
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4M5W
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![BU of 4m5w by Molmil](/molmil-images/mine/4m5w) | Crystal structure of the USP7/HAUSP catalytic domain | 分子名称: | BROMIDE ION, Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Molland, K.L, Mesecar, A.D, Zhou, Q. | 登録日 | 2013-08-08 | 公開日 | 2014-03-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.244 Å) | 主引用文献 | A 2.2 angstrom resolution structure of the USP7 catalytic domain in a new space group elaborates upon structural rearrangements resulting from ubiquitin binding. Acta Crystallogr F Struct Biol Commun, 70, 2014
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6C22
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6BID
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![BU of 6bid by Molmil](/molmil-images/mine/6bid) | 1.15 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor | 分子名称: | 3C-like protease, benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate | 著者 | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Weerawarna, P.M, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | 登録日 | 2017-11-01 | 公開日 | 2018-11-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease. Proteins, 87, 2019
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6BSK
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![BU of 6bsk by Molmil](/molmil-images/mine/6bsk) | Human PIM1 kinase in complex with compound 12b | 分子名称: | 1,2-ETHANEDIOL, 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid, SULFATE ION, ... | 著者 | Ferguson, A.D. | 登録日 | 2017-12-03 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.573 Å) | 主引用文献 | Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases. Bioorg. Med. Chem. Lett., 28, 2018
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6BI8
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4MAZ
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![BU of 4maz by Molmil](/molmil-images/mine/4maz) | The Structure of MalL mutant enzyme V200S from Bacillus subtilus | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | 著者 | Hobbs, J.K, Jiao, W, Easter, A.D, Parker, E.J, Schipper, L.A, Arcus, V.L. | 登録日 | 2013-08-18 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Change in heat capacity for enzyme catalysis determines temperature dependence of enzyme catalyzed rates. Acs Chem.Biol., 8, 2013
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