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5OI2
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BU of 5oi2 by Molmil
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
分子名称: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-4-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION, ...
著者Ruff, M, Benarous, R.
登録日2017-07-18
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration.
J. Biol. Chem., 293, 2018
4QL8
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BU of 4ql8 by Molmil
Crystal structure of Androgen Receptor in complex with the ligand
分子名称: 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor
著者Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S.
登録日2014-06-11
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration
J.Med.Chem., 57, 2014
7PAB
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BU of 7pab by Molmil
Varicella zoster Orf24-Orf27 nuclear egress complex
分子名称: Nuclear egress protein 2,Nuclear egress protein 1, SULFATE ION, ZINC ION
著者Schweininger, J, Muller, Y.A.
登録日2021-07-29
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of the varicella-zoster Orf24-Orf27 nuclear egress complex spotlights multiple determinants of herpesvirus subfamily specificity.
J.Biol.Chem., 298, 2022
7OBZ
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BU of 7obz by Molmil
Structure of RsLOV D109G
分子名称: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, LOV protein, ...
著者Moeglich, A, Krafft, T.G.A, Weyand, M.
登録日2021-04-25
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Light-Oxygen-Voltage Receptor Integrates Light and Temperature.
J.Mol.Biol., 433, 2021
7OB0
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BU of 7ob0 by Molmil
Structure of RsLOV d2 variant
分子名称: ACETATE ION, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
著者Moeglich, A, Krafft, T.G.A, Weyand, M.
登録日2021-04-20
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Light-Oxygen-Voltage Receptor Integrates Light and Temperature.
J.Mol.Biol., 433, 2021
5MJ0
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BU of 5mj0 by Molmil
Extracellular domain of human CD83 - cubic crystal form
分子名称: CD83 antigen
著者Klingl, S, Egerer-Sieber, C, Schmid, B, Muller, Y.A.
登録日2016-11-29
公開日2017-03-29
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83.
J. Mol. Biol., 429, 2017
5MIX
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BU of 5mix by Molmil
Extracellular domain of human CD83 - trigonal crystal form
分子名称: CD83 antigen
著者Klingl, S, Egerer-Sieber, C, Schmid, B, Muller, Y.A.
登録日2016-11-29
公開日2017-03-29
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83.
J. Mol. Biol., 429, 2017
2XGC
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BU of 2xgc by Molmil
Crystal structure of a designed heterodimeric variant T-A(I)B of the tetracycline repressor
分子名称: TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D
著者Stiebritz, M.T, Wengrzik, S, Richter, J.P, Muller, Y.A.
登録日2010-06-03
公開日2010-09-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Computational Design of a Chain-Specific Tetracycline Repressor Heterodimer.
J.Mol.Biol., 403, 2010
2XGD
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BU of 2xgd by Molmil
Crystal structure of a designed homodimeric variant T-A(L)A(L) of the tetracycline repressor
分子名称: CHLORIDE ION, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D
著者Stiebritz, M.T, Wengrzik, S, Richter, J.P, Muller, Y.A.
登録日2010-06-03
公開日2010-09-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Computational Design of a Chain-Specific Tetracycline Repressor Heterodimer.
J.Mol.Biol., 403, 2010
2XGE
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BU of 2xge by Molmil
Crystal structure of a designed heterodimeric variant T-A(A)B of the tetracycline repressor
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
著者Stiebritz, M.T, Wengrzik, S, Richter, J.P, Muller, Y.A.
登録日2010-06-03
公開日2010-09-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Computational Design of a Chain-Specific Tetracycline Repressor Heterodimer.
J.Mol.Biol., 403, 2010
6QVP
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BU of 6qvp by Molmil
Crystal structure of the peptidoglycan-binding domain of SiiA from Salmonella enterica
分子名称: Inner membrane protein, PHOSPHATE ION
著者Kirchweger, P, Muller, Y.A.
登録日2019-03-04
公開日2019-08-28
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional characterization of SiiA, an auxiliary protein from the SPI4-encoded type 1 secretion system from Salmonella enterica.
Mol.Microbiol., 112, 2019
3ZXH
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BU of 3zxh by Molmil
MMP-13 complexed with 2-Napthylsulfonamide hydroxamic acid inhibitor
分子名称: CALCIUM ION, COLLAGENASE 3, GLYCEROL, ...
著者Clark, K.L, Kulathila, R.
登録日2011-08-10
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Potent and Selective 2-Naphthylsulfonamide Substituted Hydroxamic Acid Inhibitors of Matrix Metalloproteinase-13.
Bioorg.Med.Chem.Lett., 21, 2011
6XVC
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BU of 6xvc by Molmil
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 1
分子名称: (4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Bader, G, Kessler, D, Wolkerstorfer, B.
登録日2020-01-21
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.098 Å)
主引用文献PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
6XV7
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BU of 6xv7 by Molmil
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 2
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
著者Bader, G, Kessler, D, Wolkerstorfer, B.
登録日2020-01-21
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.668 Å)
主引用文献PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
6XUZ
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BU of 6xuz by Molmil
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 4
分子名称: 6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine, Bromodomain-containing protein 4
著者Bader, G, Kessler, D, Wolkerstorfer, B.
登録日2020-01-21
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
6XV3
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BU of 6xv3 by Molmil
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 3
分子名称: 3-methyl-6-[6-[(3~{S})-3-methylmorpholin-4-yl]-1-[(1~{S})-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine, Bromodomain-containing protein 4
著者Bader, G, Kessler, D, Wolkerstorfer, B.
登録日2020-01-21
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
1SN6
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BU of 1sn6 by Molmil
NMR solution structure of human Saposin C in SDS micelles
分子名称: Proactivator polypeptide
著者Hawkins, C.A, de Alba, E, Tjandra, N.
登録日2004-03-10
公開日2005-03-01
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Solution structure of human saposin C in a detergent environment.
J.Mol.Biol., 346, 2005
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