6R5O
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7QZ5
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8BPV
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![BU of 8bpv by Molmil](/molmil-images/mine/8bpv) | Crystal structure of JAK2 JH1 in complex with pacritinib | 分子名称: | 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, Tyrosine-protein kinase JAK2 | 著者 | Miao, Y, Haikarainen, T. | 登録日 | 2022-11-18 | 公開日 | 2023-11-29 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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5FMB
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8BJ0
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5FTZ
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![BU of 5ftz by Molmil](/molmil-images/mine/5ftz) | AA10 lytic polysaccharide monooxygenase (LPMO) from Streptomyces lividans | 分子名称: | CHITIN BINDING PROTEIN, COPPER (II) ION | 著者 | Chaplin, A.K.C, Wilson, M.T, Hough, M.A, Svistunenko, D.A, Hemsworth, G.R, Walton, P.H, Vijgenboom, E, Worrall, J.A.R. | 登録日 | 2016-01-19 | 公開日 | 2016-04-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Heterogeneity in the Histidine-Brace Copper Coordination Sphere in Aa10 Lytic Polysaccharide Monooxygenases. J.Biol.Chem., 291, 2016
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6R62
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![BU of 6r62 by Molmil](/molmil-images/mine/6r62) | Crystal structure of a class II pyruvate aldolase from Sphingomonas wittichii RW1 in complex with hydroxypyruvate | 分子名称: | 3-HYDROXYPYRUVIC ACID, ACETATE ION, BROMIDE ION, ... | 著者 | Marsden, S.R, Mestrom, L, Hagedoorn, P.L, Bento, I, McMillan, D.G.G, Hanefeld, U. | 登録日 | 2019-03-26 | 公開日 | 2019-05-29 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | CH-Pi Interactions Promote the Conversion of Hydroxypyruvate in a Class II Pyruvate Aldolase Adv.Synth.Catal., 2019
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8T0O
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![BU of 8t0o by Molmil](/molmil-images/mine/8t0o) | Fab from mAb RB2AT_87 | 分子名称: | CHLORIDE ION, RB2AT_87 Fab Heavy chain, RB2AT_87 Fab Light chain | 著者 | Kreutzer, A.G, Malonis, R.J, Lai, J.R, Nowick, J.S. | 登録日 | 2023-06-01 | 公開日 | 2024-03-27 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Generation and Study of Antibodies against Two Triangular Trimers Derived from A beta. Pept Sci (Hoboken), 116, 2024
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6G25
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![BU of 6g25 by Molmil](/molmil-images/mine/6g25) | X-ray structure of NSD3-PWWP1 in complex with compound 4 | 分子名称: | 3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-22 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.432 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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7QZZ
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![BU of 7qzz by Molmil](/molmil-images/mine/7qzz) | ATAD2 in complex with FragLite31 | 分子名称: | 1,2-ETHANEDIOL, 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-02-01 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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8BQ3
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7R00
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![BU of 7r00 by Molmil](/molmil-images/mine/7r00) | ATAD2 in complex with FragLite33 | 分子名称: | 1,2-ETHANEDIOL, 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one, ATPase family AAA domain-containing protein 2, ... | 著者 | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | 登録日 | 2022-02-01 | 公開日 | 2022-12-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
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8TNT
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![BU of 8tnt by Molmil](/molmil-images/mine/8tnt) | Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with antibodies F-2-1 and 769C2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 769C2 heavy chain, 769C2 light chain, ... | 著者 | Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I. | 登録日 | 2023-08-02 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells. Immunity, 57, 2024
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6G2B
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![BU of 6g2b by Molmil](/molmil-images/mine/6g2b) | X-ray structure of NSD3-PWWP1 in complex with compound 8 | 分子名称: | 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3 | 著者 | Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A. | 登録日 | 2018-03-22 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3. Nat.Chem.Biol., 15, 2019
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7M7D
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![BU of 7m7d by Molmil](/molmil-images/mine/7m7d) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-8968 | 分子名称: | (5S)-6,6-dimethyl-8-[(4S)-7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Leonard, P.G, Cross, J.B. | 登録日 | 2021-03-27 | 公開日 | 2021-09-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
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6K7R
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7R3H
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8TD0
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![BU of 8td0 by Molmil](/molmil-images/mine/8td0) | Structure of PYCR1 complexed with 5-oxo-7a-phenyl-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid | 分子名称: | (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid, Pyrroline-5-carboxylate reductase 1, mitochondrial, ... | 著者 | Tanner, J.J, Meeks, K.R. | 登録日 | 2023-07-02 | 公開日 | 2024-03-06 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. J.Chem.Inf.Model., 64, 2024
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5FJ4
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8BOW
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![BU of 8bow by Molmil](/molmil-images/mine/8bow) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor 617 | 分子名称: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-3-naphthalen-2-yl-2-[[4-[[2-[(11~{Z})-4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-11-en-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Motlova, L, Barinka, C, Benesova, M. | 登録日 | 2022-11-15 | 公開日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with an inhibitor 617 To Be Published
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7M63
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![BU of 7m63 by Molmil](/molmil-images/mine/7m63) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with IACS-70099 | 分子名称: | (2R)-N-(4-chlorophenyl)-2-[(1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzimidazol-1-yl)bicyclo[3.1.0]hexan-6-yl]propanamide, Indoleamine 2,3-dioxygenase 1 | 著者 | Leonard, P.G, Cross, J.B. | 登録日 | 2021-03-25 | 公開日 | 2021-09-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J.Med.Chem., 64, 2021
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5FRA
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![BU of 5fra by Molmil](/molmil-images/mine/5fra) | CBM40_CPF0721-6'SL | 分子名称: | ACETATE ION, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ... | 著者 | Ribeiro, J.P, Pau, W, Pifferi, C, Renaudet, O, Varrot, A, Mahal, L.K, Imberty, A. | 登録日 | 2015-12-16 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Characterization of a High-Affinity Sialic Acid-Specific Cbm40 from Clostridium Perfringens and Engineering of a Divalent Form. Biochem.J., 473, 2016
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8BQ8
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5FLS
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![BU of 5fls by Molmil](/molmil-images/mine/5fls) | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | 分子名称: | (E)-3-(4-chlorophenyl)but-2-enoic acid, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | 著者 | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | 登録日 | 2015-10-28 | 公開日 | 2016-03-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
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8TOO
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![BU of 8too by Molmil](/molmil-images/mine/8too) | Crystal structure of Epstein-Barr virus gp42 in complex with antibody 4C12 | 分子名称: | 4C12 heavy chain, 4C12 light chain, Glycoprotein 42 | 著者 | Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I. | 登録日 | 2023-08-03 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells. Immunity, 57, 2024
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