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3OZJ
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BU of 3ozj by Molmil
Crystal structure of human retinoic X receptor alpha complexed with bigelovin and coactivator SRC-1
分子名称: (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate, Retinoic acid receptor RXR-alpha, SRC-1, ...
著者Zhang, H, Li, L, Chen, L, Hu, L, Shen, X.
登録日2010-09-25
公開日2011-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure basis of bigelovin as a selective RXR agonist with a distinct binding mode
J.Mol.Biol., 407, 2011
8Q1H
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BU of 8q1h by Molmil
LSD1 Y391K-CoREST bound to Histone H3 N-terminal tail
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
著者Barone, M, Mattevi, A.
登録日2023-07-31
公開日2024-05-15
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1.
Nat.Chem.Biol., 2024
8Q1G
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BU of 8q1g by Molmil
LSD1-CoREST bound to Acetylated K14 of Histone H3
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
著者Barone, M, Mattevi, A.
登録日2023-07-31
公開日2024-05-15
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1.
Nat.Chem.Biol., 2024
8Q1J
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BU of 8q1j by Molmil
LSD1 Y391K-CoREST bound to Acetylated K14 of Histone H3
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
著者Barone, M, Mattevi, A.
登録日2023-07-31
公開日2024-05-15
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1.
Nat.Chem.Biol., 2024
8I2H
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BU of 8i2h by Molmil
Follicle stimulating hormone receptor
分子名称: Follicle-stimulating hormone receptor
著者Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E.
登録日2023-01-14
公開日2023-03-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
8I2G
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BU of 8i2g by Molmil
FSHR-Follicle stimulating hormone-compound 716340-Gs complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E.
登録日2023-01-14
公開日2023-03-29
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
4YWZ
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BU of 4ywz by Molmil
Crystal structure of the extracellular receptor domain of the essential sensor kinase WalK from Staphylococcus aureus
分子名称: Sensor protein kinase WalK
著者Ji, Q, Wawrzak, Z, He, C.
登録日2015-03-21
公開日2016-03-30
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and mechanism of the essential two-component signal-transduction system WalKR in Staphylococcus aureus.
Nat Commun, 7, 2016
5V2N
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BU of 5v2n by Molmil
Crystal Structure of APO Human SETD8
分子名称: 1,2-ETHANEDIOL, N-lysine methyltransferase KMT5A
著者Skene, R.J.
登録日2017-03-05
公開日2018-03-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The dynamic conformational landscape of the protein methyltransferase SETD8.
Elife, 8, 2019
4HBL
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BU of 4hbl by Molmil
Crystal structure of AbfR of Staphylococcus epidermidis
分子名称: Transcriptional regulator, MarR family
著者Liu, X, Sun, X, Gan, J, Lan, L, Yang, C.-G.
登録日2012-09-28
公開日2013-01-02
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Oxidation-sensing Regulator AbfR Regulates Oxidative Stress Responses, Bacterial Aggregation, and Biofilm Formation in Staphylococcus epidermidis.
J.Biol.Chem., 288, 2013
2EW7
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BU of 2ew7 by Molmil
Crystal Structure of Helicobacter Pylori peptide deformylase
分子名称: COBALT (II) ION, peptide deformylase
著者Cai, J.
登録日2005-11-02
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
4P6X
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BU of 4p6x by Molmil
Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain
分子名称: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, Glucocorticoid receptor, Nuclear receptor coactivator 2
著者He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
登録日2014-03-25
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
3PNR
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BU of 3pnr by Molmil
Structure of PbICP-C in complex with falcipain-2
分子名称: CADMIUM ION, Falcipain 2, GLYCEROL, ...
著者Hansen, G, Hilgenfeld, R.
登録日2010-11-19
公開日2011-07-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the regulation of cysteine-protease activity by a new class of protease inhibitors in Plasmodium.
Structure, 19, 2011
4P6W
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BU of 4p6w by Molmil
Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding domain
分子名称: Glucocorticoid receptor, MOMETASONE FUROATE, Nuclear receptor coactivator 2
著者He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
登録日2014-03-25
公開日2014-04-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
3UJK
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BU of 3ujk by Molmil
Crystal structure of protein phosphatase ABI2
分子名称: MAGNESIUM ION, Protein phosphatase 2C 77
著者Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E.
登録日2011-11-07
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
3RIG
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BU of 3rig by Molmil
Sirt5 is an NAD-dependent protein lysine demalonylase and desuccinylase
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, NAD-dependent deacetylase sirtuin-5, ZINC ION, ...
著者Zhou, Y.
登録日2011-04-13
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase
Science, 334, 2011
3UJL
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BU of 3ujl by Molmil
Crystal structure of abscisic acid bound PYL2 in complex with type 2C protein phosphatase ABI2
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL2, MAGNESIUM ION, ...
著者Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E.
登録日2011-11-07
公開日2012-02-15
最終更新日2012-03-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
3UJG
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BU of 3ujg by Molmil
Crystal structure of SnRK2.6 in complex with HAB1
分子名称: MAGNESIUM ION, Protein phosphatase 2C 16, SULFATE ION, ...
著者Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E.
登録日2011-11-07
公開日2012-02-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases.
Science, 335, 2012
3RIY
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BU of 3riy by Molmil
Sirt5 is an NAD-dependent protein lysine demalonylase and desuccinylase
分子名称: NAD-dependent deacetylase sirtuin-5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION, ...
著者Zhou, Y, Hao, Q.
登録日2011-04-14
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Sirt5 is a NAD-dependent protein lysine demalonylase and desuccinylase
Science, 334, 2011
2EW6
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BU of 2ew6 by Molmil
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
分子名称: (2E)-3-(3,4-DIHYDROXYPHENYL)-N-[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE, COBALT (II) ION, peptide deformylase
著者Cai, J.
登録日2005-11-02
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
2EW5
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BU of 2ew5 by Molmil
Structure of Helicobacter Pylori peptide deformylase in complex with inhibitor
分子名称: 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-1-EN-1-YL}-1,2-PHENYLENE DIACETATE, COBALT (II) ION, peptide deformylase
著者Cai, J.
登録日2005-11-02
公開日2006-10-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide deformylase is a potential target for anti-Helicobacter pylori drugs: reverse docking, enzymatic assay, and X-ray crystallography validation
Protein Sci., 15, 2006
5GON
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BU of 5gon by Molmil
Structures of a beta-lactam bridged analogue in complex with tubulin
分子名称: (3R,4R)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Zhou, L, Liu, Y, Cheng, L, Wang, Y.
登録日2016-07-28
公開日2017-03-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Potent Antitumor Activities and Structure Basis of the Chiral beta-Lactam Bridged Analogue of Combretastatin A-4 Binding to Tubulin.
J. Med. Chem., 59, 2016
4QQ6
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BU of 4qq6 by Molmil
Crystal Structure of tudor domain of SMN1 in complex with a small organic molecule
分子名称: 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC)
登録日2014-06-26
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
4QQD
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BU of 4qqd by Molmil
Crystal Structure of tandem tudor domains of UHRF1 in complex with a small organic molecule
分子名称: 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, E3 ubiquitin-protein ligase UHRF1, UNKNOWN ATOM OR ION
著者Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC)
登録日2014-06-27
公開日2014-08-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
7F0M
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BU of 7f0m by Molmil
Crystal Structure of human Pin1 complexed with a potent covalent inhibitor
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 8-(2-chloranylethanoyl)-4-[(5-naphthalen-1-ylfuran-2-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Liu, L, Li, J.
登録日2021-06-05
公開日2022-02-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Computational and Structure-Based Development of High Potent Cell-Active Covalent Inhibitor Targeting the Peptidyl-Prolyl Isomerase NIMA-Interacting-1 (Pin1).
J.Med.Chem., 65, 2022
6AJH
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BU of 6ajh by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.818 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019

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