4Y0U
| Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed with OXA-58, a Carbapenem hydrolyzing Class D betalactamase from Acinetobacter baumanii. | 分子名称: | 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase | 著者 | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | 登録日 | 2015-02-06 | 公開日 | 2016-01-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii. Antimicrob.Agents Chemother., 60, 2015
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5MST
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5JZS
| HsaD bound to 3,5-dichloro-4-hydroxybenzoic acid | 分子名称: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD, 3,5-dichloro-4-hydroxybenzoic acid | 著者 | Ryan, A, Polycarpou, E, Lack, N, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E.D, Ballet, R, Abuhammad, A, Ciulli, A, Sim, E. | 登録日 | 2016-05-17 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach. Br. J. Pharmacol., 174, 2017
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6VET
| Human insulin analog: [GluB10,HisA8,ArgA9,TyrB20]-DOI | 分子名称: | Insulin A chain, Insulin B chain | 著者 | Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X. | 登録日 | 2020-01-02 | 公開日 | 2020-06-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | A structurally minimized yet fully active insulin based on cone-snail venom insulin principles. Nat.Struct.Mol.Biol., 27, 2020
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7Z9G
| E.coli gyrase holocomplex with 217 bp DNA and Albi-2 | 分子名称: | 4-[[3-(2-azanylethoxy)-2-oxidanyl-4-[[5-[[(2~{S})-2-[[4-[(6-oxidanylnaphthalen-2-yl)carbonylamino]phenyl]carbonylamino]-3-(1~{H}-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ... | 著者 | Ghilarov, D, Heddle, J.G.H. | 登録日 | 2022-03-21 | 公開日 | 2023-02-15 | 最終更新日 | 2023-07-19 | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | 主引用文献 | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin. Nat Catal, 6, 2023
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7Z9M
| E.coli gyrase holocomplex with 217 bp DNA and Albi-1 (site AA) | 分子名称: | 4-[[4-[[5-[[(2S)-2-[[5-[(4-cyanophenyl)carbonylamino]pyridin-2-yl]carbonylamino]-3-(1H-1,2,3-triazol-4-yl)propanoyl]amino]pyridin-2-yl]carbonylamino]-2-oxidanyl-3-propan-2-yloxy-phenyl]carbonylamino]benzoic acid, DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), ... | 著者 | Ghilarov, D, Heddle, J.G.H. | 登録日 | 2022-03-21 | 公開日 | 2023-02-15 | 最終更新日 | 2023-07-19 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin. Nat Catal, 6, 2023
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5M7U
| Structure of human O-GlcNAc hydrolase with new iminocyclitol type inhibitor | 分子名称: | 2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide, Protein O-GlcNAcase | 著者 | Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J. | 登録日 | 2016-10-28 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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5MTX
| Dibenzooxepinone inhibitor 12b in complex with p38 MAPK | 分子名称: | 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Buehrmann, M, Rauh, D. | 登録日 | 2017-01-11 | 公開日 | 2017-09-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Novel Type I(1)/2 p38 alpha MAP Kinase Inhibitors with Excellent Selectivity, High Potency, and Prolonged Target Residence Time by Interfering with the R-Spine. J. Med. Chem., 60, 2017
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6MNG
| 4738 TCR bound to IAb Padi4 | 分子名称: | 4738 TCR alpha chain, 4738 TCR beta chain, H-2 class II histocompatibility antigen, ... | 著者 | Blevins, S.J, Stadinski, B.D, Huseby, E.S. | 登録日 | 2018-10-01 | 公開日 | 2019-07-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.662 Å) | 主引用文献 | A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development. Nat.Immunol., 20, 2019
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6EWE
| Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | 分子名称: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | 登録日 | 2017-11-03 | 公開日 | 2018-10-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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5MUW
| Atomic structure of P4 packaging enzyme fitted into a localized reconstruction of bacteriophage phi6 vertex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Packaging enzyme P4 | 著者 | Sun, Z, El Omari, K, Sun, X, Ilca, S, Kotecha, A, Stuart, D.I, Poranen, M.M, Huiskonen, J.T. | 登録日 | 2017-01-14 | 公開日 | 2017-03-22 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (9.1 Å) | 主引用文献 | Double-stranded RNA virus outer shell assembly by bona fide domain-swapping. Nat Commun, 8, 2017
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7Z9C
| E.coli gyrase holocomplex with 217 bp DNA and albicidin | 分子名称: | DNA (5'-D(*AP*AP*TP*CP*AP*CP*CP*CP*GP*CP*AP*CP*AP*GP*AP*TP*TP*T)-3'), DNA (5'-D(*GP*AP*TP*TP*TP*TP*AP*TP*GP*CP*CP*TP*GP*AP*TP*TP*CP*T)-3'), DNA (5'-D(P*AP*AP*AP*TP*CP*TP*GP*TP*GP*CP*GP*GP*GP*T)-3'), ... | 著者 | Ghilarov, D, Heddle, J.G.H, Suessmuth, R. | 登録日 | 2022-03-21 | 公開日 | 2023-02-15 | 最終更新日 | 2023-07-19 | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | 主引用文献 | Molecular mechanism of topoisomerase poisoning by the peptide antibiotic albicidin. Nat Catal, 6, 2023
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7KYB
| Structure of the S. cerevisiae phosphatidylcholine flippase Dnf1-Lem3 complex in the E1-ADP state | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 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 | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | 登録日 | 2020-12-07 | 公開日 | 2021-01-06 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Transport mechanism of P4 ATPase phosphatidylcholine flippases. Elife, 9, 2020
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7UR6
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6UOC
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with Givinostat | 分子名称: | 1,2-ETHANEDIOL, Givinostat, Histone deacetylase 6, ... | 著者 | Osko, J.D, Christianson, D.W. | 登録日 | 2019-10-14 | 公開日 | 2019-12-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.400008 Å) | 主引用文献 | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6. Biochemistry, 58, 2019
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8CIL
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6MSE
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8TAR
| APC/C-CDH1-UBE2C-Ubiquitin-CyclinB-NTD | 分子名称: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | 著者 | Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G. | 登録日 | 2023-06-27 | 公開日 | 2023-09-27 | 最終更新日 | 2023-11-22 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C). Nat.Struct.Mol.Biol., 30, 2023
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8C7C
| Double mutant V(M84)C/A(L278)C structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV | 分子名称: | 1,2-ETHANEDIOL, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | 著者 | Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Uhimchuk, D. | 登録日 | 2023-01-14 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Stabilization of Cereibacter sphaeroides Photosynthetic Reaction Center by the Introduction of Disulfide Bonds. Membranes (Basel), 13, 2023
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8C6K
| Double mutant A(L53)C/I(L64)C structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ... | 著者 | Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Uhimchuk, D. | 登録日 | 2023-01-12 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Stabilization of Cereibacter sphaeroides Photosynthetic Reaction Center by the Introduction of Disulfide Bonds. Membranes (Basel), 13, 2023
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7UOJ
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6F13
| GLIC mutant E75A | 分子名称: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | 著者 | Hu, H.D, Delarue, M. | 登録日 | 2017-11-21 | 公開日 | 2018-01-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
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8C5X
| Double mutant A(L37)C/S(L99)C structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, BACTERIOCHLOROPHYLL A, ... | 著者 | Gabdulkhakov, A, Selikhanov, G, Fufina, T, Vasilieva, L, Atamas, A, Uhimchuk, D. | 登録日 | 2023-01-10 | 公開日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Stabilization of Cereibacter sphaeroides Photosynthetic Reaction Center by the Introduction of Disulfide Bonds. Membranes (Basel), 13, 2023
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8F7N
| Crystal structure of chemoreceptor McpZ ligand sensing domain | 分子名称: | Methyl-accepting chemotaxis protein, YTTERBIUM (III) ION | 著者 | Salar, S, Schubot, F.D. | 登録日 | 2022-11-19 | 公開日 | 2023-07-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The structural analysis of the periplasmic domain of Sinorhizobium meliloti chemoreceptor McpZ reveals a novel fold and suggests a complex mechanism of transmembrane signaling. Proteins, 91, 2023
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6UOB
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with Resminostat | 分子名称: | 1,2-ETHANEDIOL, Histone deacetylase 6, PHENYLALANINE, ... | 著者 | Osko, J.D, Christianson, D.W. | 登録日 | 2019-10-14 | 公開日 | 2019-12-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.58000576 Å) | 主引用文献 | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6. Biochemistry, 58, 2019
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