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6OQB
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BU of 6oqb by Molmil
Co-crystal structure of Mcl1 with inhibitor 10
分子名称: (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-04-26
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6O6G
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BU of 6o6g by Molmil
Co-crystal structure of Mcl1 with inhibitor
分子名称: (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-03-06
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6AY5
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BU of 6ay5 by Molmil
CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one)
分子名称: 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
6OVC
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BU of 6ovc by Molmil
hMcl1 inhibitor complex
分子名称: (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Poppe, L.
登録日2019-05-07
公開日2019-05-22
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
3ILQ
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BU of 3ilq by Molmil
Structure of mCD1d with bound glycolipid BbGL-2c from Borrelia burgdorferi
分子名称: (2S)-3-(alpha-D-galactopyranosyloxy)-2-(hexadecanoyloxy)propyl (9Z)-octadec-9-enoate, 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Zajonc, D.M.
登録日2009-08-07
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Lipid binding orientation within CD1d affects recognition of Borrelia burgorferi antigens by NKT cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
7DDE
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BU of 7dde by Molmil
Cryo-EM structure of the Ape4 and Nbr1 complex
分子名称: Aspartyl aminopeptidase 1,ZZ-type zinc finger-containing protein P35G2.11c,Maltose/maltodextrin-binding periplasmic protein, ZINC ION
著者Zhang, J, Ye, K.
登録日2020-10-28
公開日2021-07-14
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.26 Å)
主引用文献Molecular and structural mechanisms of ZZ domain-mediated cargo selection by Nbr1.
Embo J., 40, 2021
7DD9
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BU of 7dd9 by Molmil
Cryo-EM structure of the Ams1 and Nbr1 complex
分子名称: Alpha-mannosidase,ZZ-type zinc finger-containing protein P35G2.11c,Maltose/maltodextrin-binding periplasmic protein, ZINC ION
著者Zhang, J, Ye, K.
登録日2020-10-28
公開日2021-07-14
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.4 Å)
主引用文献Molecular and structural mechanisms of ZZ domain-mediated cargo selection by Nbr1.
Embo J., 40, 2021
3ILP
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BU of 3ilp by Molmil
Structure of mCD1d with bound glycolipid BbGL-2f from Borrelia burgdorferi
分子名称: (2S)-3-(alpha-D-galactopyranosyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate, 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Zajonc, D.M.
登録日2009-08-07
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Lipid binding orientation within CD1d affects recognition of Borrelia burgorferi antigens by NKT cells.
Proc.Natl.Acad.Sci.USA, 107, 2010
6AY3
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BU of 6ay3 by Molmil
CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide)
分子名称: 1,2-ETHANEDIOL, 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide, CREB-binding protein, ...
著者Murray, J.M.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
4LG8
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BU of 4lg8 by Molmil
Crystal structure of PRPF19 WD40 repeats
分子名称: Pre-mRNA-processing factor 19, SODIUM ION, UNKNOWN ATOM OR ION
著者Xu, C, Tempel, W, He, H, Dobrovetsky, E, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2013-06-27
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of the WD40 domain of human PRPF19.
Biochem. Biophys. Res. Commun., 493, 2017
5OFR
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BU of 5ofr by Molmil
Structure of the antibacterial peptide ABC transporter McjD in a high energy outward occluded intermediate state
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, ...
著者Beis, K, Bountra, K.
登録日2017-07-11
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural basis for antibacterial peptide self-immunity by the bacterial ABC transporter McjD.
EMBO J., 36, 2017
5OFP
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BU of 5ofp by Molmil
Structure of the antibacterial peptide ABC transporter McjD in an apo inward occluded conformation
分子名称: Microcin-J25 export ATP-binding/permease protein McjD
著者Beis, K, Choudhury, H.G.
登録日2017-07-11
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (4.71 Å)
主引用文献Structural basis for antibacterial peptide self-immunity by the bacterial ABC transporter McjD.
EMBO J., 36, 2017
3JBZ
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BU of 3jbz by Molmil
Crystal structure of mTOR docked into EM map of dimeric ATM kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase mTOR, ...
著者Lau, W.C.Y.
登録日2015-11-03
公開日2016-11-16
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (28 Å)
主引用文献Structure of the human dimeric ATM kinase.
Cell Cycle, 15, 2016
5CI6
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BU of 5ci6 by Molmil
Crystal structure of Arabidopsis thaliana MPK6
分子名称: Mitogen-activated protein kinase 6
著者Qin, X, Li, P, Chen, Z, Ren, D.
登録日2015-07-11
公開日2016-05-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Analysis of crystal structure of Arabidopsis MPK6 and generation of its mutants with higher activity
Sci Rep, 6, 2016
4OLK
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BU of 4olk by Molmil
The CHAP domain of LysGH15
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endolysin
著者Gu, J, Ouyang, S, Liu, Z.J, Han, W.
登録日2014-01-24
公開日2014-05-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.694 Å)
主引用文献Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
6AXQ
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BU of 6axq by Molmil
CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate)
分子名称: CREB-binding protein, DIMETHYL SULFOXIDE, methyl 1H-indole-3-carboxylate
著者Murray, J.M, Jayaram, H.
登録日2017-09-07
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors.
J. Med. Chem., 60, 2017
3LDC
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BU of 3ldc by Molmil
High resolution open MthK pore structure crystallized in 100 mM K+
分子名称: Calcium-gated potassium channel mthK, POTASSIUM ION
著者Ye, S.
登録日2010-01-12
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel insights into K(+) selectivity from high-resolution structures of an open K(+) channel pore.
Nat.Struct.Mol.Biol., 17, 2010
7C53
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BU of 7c53 by Molmil
Crystal Structure of SARS-CoV-2 HR1 motif in complex with pan-CoVs inhibitor EK1
分子名称: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
著者Zhu, Y, Yang, X, Sun, F.
登録日2020-05-19
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.278 Å)
主引用文献Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation.
Signal Transduct Target Ther, 6, 2021
6DUP
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BU of 6dup by Molmil
CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH COMPOUND 7
分子名称: (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one, Nuclear receptor subfamily 1 group I member 2
著者Chen, X, Zhang, Y, Mclean, L.R.
登録日2018-06-21
公開日2018-08-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Amelioration of PXR-mediated CYP3A4 induction by mGluR2 modulators.
Bioorg. Med. Chem. Lett., 28, 2018
5HS2
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BU of 5hs2 by Molmil
Crystal structure of IspD complexed with CTP and Mg2+ from Bacillus subtilis at 1.90 Angstroms resolution
分子名称: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Jin, Y, Liu, Z.C, Wang, G.G.
登録日2016-01-24
公開日2016-11-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A structural and functional study on the 2-C-methyl-d-erythritol-4-phosphate cytidyltransferase (IspD) from Bacillus subtilis.
Sci Rep, 6, 2016
4OLS
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BU of 4ols by Molmil
The amidase-2 domain of LysGH15
分子名称: Endolysin, FE (III) ION, MAGNESIUM ION, ...
著者Gu, J, Ouyang, S, Liu, Z.J, Han, W.
登録日2014-01-24
公開日2014-06-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin.
Plos Pathog., 10, 2014
3LDE
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BU of 3lde by Molmil
High resolution open MthK pore structure crystallized in 100 mM K+ and further soaked in 100 mM Na+.
分子名称: Calcium-gated potassium channel mthK, SODIUM ION
著者Ye, S.
登録日2010-01-12
公開日2010-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.208 Å)
主引用文献Novel insights into K(+) selectivity from high-resolution structures of an open K(+) channel pore.
Nat.Struct.Mol.Biol., 17, 2010
6A50
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BU of 6a50 by Molmil
structure of benzoylformate decarboxylases in complex with cofactor TPP
分子名称: MAGNESIUM ION, THIAMINE DIPHOSPHATE, benzoylformate decarboxylases
著者Guo, Y, Wang, S, Nie, Y, Li, S.
登録日2018-06-21
公開日2019-02-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A Synthetic Pathway for Acetyl-Coenzyme A Biosynthesis
Nat Commun, 2019
3LDD
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BU of 3ldd by Molmil
High resolution open MthK pore structure crystallized in 100 mM K+ and further soaked in 99 mM Na+/1 mM K+.
分子名称: Calcium-gated potassium channel mthK, POTASSIUM ION
著者Ye, S.
登録日2010-01-12
公開日2010-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel insights into K(+) selectivity from high-resolution structures of an open K(+) channel pore.
Nat.Struct.Mol.Biol., 17, 2010
8W8Q
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BU of 8w8q by Molmil
Cryo-EM structure of the GPR101-Gs complex
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Sun, J.P, Gao, N, Yu, X, Wang, G.P, Yang, F, Wang, J.Y, Yang, Z, Guan, Y.
登録日2023-09-04
公開日2024-01-03
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structure of GPR101-Gs enables identification of ligands with rejuvenating potential.
Nat.Chem.Biol., 20, 2024

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