6DQ4
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![BU of 6dq4 by Molmil](/molmil-images/mine/6dq4) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1 | 分子名称: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2018-06-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.392 Å) | 主引用文献 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQ9
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![BU of 6dq9 by Molmil](/molmil-images/mine/6dq9) | Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] | 分子名称: | 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | 著者 | Horton, J.R, Cheng, X. | 登録日 | 2018-06-10 | 公開日 | 2018-11-21 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.748 Å) | 主引用文献 | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQ5
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![BU of 6dq5 by Molmil](/molmil-images/mine/6dq5) | |
6DQE
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![BU of 6dqe by Molmil](/molmil-images/mine/6dqe) | |
6DQD
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![BU of 6dqd by Molmil](/molmil-images/mine/6dqd) | |
9MHT
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![BU of 9mht by Molmil](/molmil-images/mine/9mht) | CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI/DNA COMPLEX | 分子名称: | 5'-D(P*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*AP*GP*(3DR)P*GP*CP*AP*TP*GP*G)-3', CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI, ... | 著者 | O'Gara, M, Horton, J.R, Roberts, R.J, Cheng, X. | 登録日 | 1998-08-07 | 公開日 | 1998-12-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structures of HhaI methyltransferase complexed with substrates containing mismatches at the target base. Nat.Struct.Biol., 5, 1998
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8UWU
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![BU of 8uwu by Molmil](/molmil-images/mine/8uwu) | EmrE structure in the proton-bound state (WT/L51I heterodimer) | 分子名称: | SMR family multidrug efflux protein EmrE | 著者 | Li, J, Sae Her, A, Besch, A, Ramirez, B, Crames, M, Banigan, J.R, Mueller, C, Marsiglia, W.M, Zhang, Y, Traaseth, N.J. | 登録日 | 2023-11-08 | 公開日 | 2024-05-29 | 実験手法 | SOLID-STATE NMR, SOLUTION NMR | 主引用文献 | Molecular Basis of Drug Recognition by EmrE To Be Published
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8UVL
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![BU of 8uvl by Molmil](/molmil-images/mine/8uvl) | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | 分子名称: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | 著者 | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | 登録日 | 2023-11-03 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model. J.Med.Chem., 2024
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1F5T
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![BU of 1f5t by Molmil](/molmil-images/mine/1f5t) | DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH NICKEL AND DTXR CONSENSUS BINDING SEQUENCE | 分子名称: | 43MER DNA CONTAINING DXTR CONSENSUS BINDING SEQUENCE, DIPHTHERIA TOXIN REPRESSOR, NICKEL (II) ION | 著者 | Chen, S, White, A, Love, J, Murphy, J.R, Ringe, D. | 登録日 | 2000-06-15 | 公開日 | 2000-09-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Methyl groups of thymine bases are important for nucleic acid recognition by DtxR. Biochemistry, 39, 2000
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8XKL
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![BU of 8xkl by Molmil](/molmil-images/mine/8xkl) | Structure of ACPII-CCPII from cryptophyte algae | 分子名称: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ... | 著者 | Li, X.Y, Mao, Z.Y, Shen, J.R, Han, G.Y. | 登録日 | 2023-12-23 | 公開日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.84 Å) | 主引用文献 | Structure and distinct supramolecular organization of a PSII-ACPII dimer from a cryptophyte alga Chroomonas placoidea. Nat Commun, 15, 2024
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8WB4
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![BU of 8wb4 by Molmil](/molmil-images/mine/8wb4) | Structure of PSII-ACPII supercomplex from cryptophyte algae | 分子名称: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ... | 著者 | Li, X.Y, Mao, Z.Y, Shen, J.R, Han, G.Y. | 登録日 | 2023-09-08 | 公開日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.47 Å) | 主引用文献 | Structure and distinct supramolecular organization of a PSII-ACPII dimer from a cryptophyte alga Chroomonas placoidea. Nat Commun, 15, 2024
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1FPO
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![BU of 1fpo by Molmil](/molmil-images/mine/1fpo) | |
1FH0
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![BU of 1fh0 by Molmil](/molmil-images/mine/1fh0) | |
1FLH
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![BU of 1flh by Molmil](/molmil-images/mine/1flh) | CRYSTAL STRUCTURE OF HUMAN UROPEPSIN AT 2.45 A RESOLUTION | 分子名称: | UROPEPSIN | 著者 | Canduri, F, Teodoro, L.G.V.L, Fadel, V, Lorenzi, C.C.B, Hial, V, Gomes, R.A.S, Neto, J.R, De Azevedo Jr, W.F. | 登録日 | 2000-08-14 | 公開日 | 2001-10-31 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure of human uropepsin at 2.45 A resolution. Acta Crystallogr.,Sect.D, 57, 2001
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1MBL
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![BU of 1mbl by Molmil](/molmil-images/mine/1mbl) | |
4ELJ
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![BU of 4elj by Molmil](/molmil-images/mine/4elj) | |
4EW7
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![BU of 4ew7 by Molmil](/molmil-images/mine/4ew7) | The crystal structure of conjugative transfer PAS_like domain from Salmonella enterica subsp. enterica serovar Typhimurium | 分子名称: | ACETIC ACID, CHLORIDE ION, Conjugative transfer: regulation, ... | 著者 | Wu, R, Jedrzejczak, R.P, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Adkins, J.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Program for the Characterization of Secreted Effector Proteins (PCSEP) | 登録日 | 2012-04-26 | 公開日 | 2012-09-12 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | The crystal structure of conjugative transfer PAS_like domain from Salmonella enterica subsp. enterica serovar Typhimurium To be Published
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4EXK
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![BU of 4exk by Molmil](/molmil-images/mine/4exk) | A chimera protein containing MBP fused to the C-terminal domain of the uncharacterized protein STM14_2015 from Salmonella enterica | 分子名称: | Maltose-binding periplasmic protein, uncharacterized protein chimera, TRIETHYLENE GLYCOL, ... | 著者 | Nocek, B, Hatzos-Skintges, C, Jedrzejczak, R, Babnigg, G, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Adkins, J.N, Joachimiak, A, Program for the Characterization of Secreted Effector Proteins (PCSEP), Midwest Center for Structural Genomics (MCSG) | 登録日 | 2012-04-30 | 公開日 | 2012-08-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | A chimera protein containing MBP fused to the C-terminal domain of the uncharacterized protein STM14_2015 form Salmonella enterica To be Published
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4F21
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![BU of 4f21 by Molmil](/molmil-images/mine/4f21) | Crystal structure of carboxylesterase/phospholipase family protein from Francisella tularensis | 分子名称: | Carboxylesterase/phospholipase family protein, N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form | 著者 | Filippova, E.V, Minasov, G, Kuhn, M, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J.R, Kiryukhina, O, Becker, D.P, Armoush, N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2012-05-07 | 公開日 | 2012-08-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Large scale structural rearrangement of a serine hydrolase from Francisella tularensis facilitates catalysis. J.Biol.Chem., 288, 2013
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4F0Q
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![BU of 4f0q by Molmil](/molmil-images/mine/4f0q) | MspJI Restriction Endonuclease - P21 Form | 分子名称: | MAGNESIUM ION, Restriction endonuclease | 著者 | Horton, J.R, Mabuchi, M, Cohen-Karni, D, Zhang, X, Griggs, R, Samaranayake, M, Roberts, R.J, Zheng, Y, Cheng, X. | 登録日 | 2012-05-04 | 公開日 | 2012-08-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.046 Å) | 主引用文献 | Structure and cleavage activity of the tetrameric MspJI DNA modification-dependent restriction endonuclease. Nucleic Acids Res., 40, 2012
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4F0P
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![BU of 4f0p by Molmil](/molmil-images/mine/4f0p) | MspJI Restriction Endonuclease - P31 Form | 分子名称: | MAGNESIUM ION, Restriction endonuclease | 著者 | Horton, J.R, Mabuchi, M, Cohen-Karni, D, Zhang, X, Griggs, R, Samaranayake, M, Roberts, R.J, Zheng, Y, Cheng, X. | 登録日 | 2012-05-04 | 公開日 | 2012-08-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | 主引用文献 | Structure and cleavage activity of the tetrameric MspJI DNA modification-dependent restriction endonuclease. Nucleic Acids Res., 40, 2012
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8I5R
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![BU of 8i5r by Molmil](/molmil-images/mine/8i5r) | |
8I5O
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![BU of 8i5o by Molmil](/molmil-images/mine/8i5o) | |
8I5S
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![BU of 8i5s by Molmil](/molmil-images/mine/8i5s) | Crystal structure of TxGH116 D593N acid/base mutant from Thermoanaerobacterium xylanolyticum with 2-deoxy-2-fluoroglucoside | 分子名称: | 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside, 2-deoxy-2-fluoro-alpha-D-glucopyranose, ... | 著者 | Pengthaisong, S, Ketudat Cairns, J.R. | 登録日 | 2023-01-26 | 公開日 | 2023-05-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation. Acs Catalysis, 13, 2023
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8I5U
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![BU of 8i5u by Molmil](/molmil-images/mine/8i5u) | |