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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
Descriptor: (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, ...
Authors:Ruff, M, Benarous, R.
Deposit date:2017-07-18
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 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
Authors:Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S.
Deposit date:2014-06-11
Release date:2015-06-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Nuclear egress protein 2,Nuclear egress protein 1, SULFATE ION, ZINC ION
Authors:Schweininger, J, Muller, Y.A.
Deposit date:2021-07-29
Release date:2022-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, LOV protein, ...
Authors:Moeglich, A, Krafft, T.G.A, Weyand, M.
Deposit date:2021-04-25
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: ACETATE ION, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Moeglich, A, Krafft, T.G.A, Weyand, M.
Deposit date:2021-04-20
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: CD83 antigen
Authors:Klingl, S, Egerer-Sieber, C, Schmid, B, Muller, Y.A.
Deposit date:2016-11-29
Release date:2017-03-29
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
Descriptor: CD83 antigen
Authors:Klingl, S, Egerer-Sieber, C, Schmid, B, Muller, Y.A.
Deposit date:2016-11-29
Release date:2017-03-29
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.701 Å)
Cite: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
Descriptor: TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D
Authors:Stiebritz, M.T, Wengrzik, S, Richter, J.P, Muller, Y.A.
Deposit date:2010-06-03
Release date:2010-09-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor: CHLORIDE ION, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D
Authors:Stiebritz, M.T, Wengrzik, S, Richter, J.P, Muller, Y.A.
Deposit date:2010-06-03
Release date:2010-09-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
Authors:Stiebritz, M.T, Wengrzik, S, Richter, J.P, Muller, Y.A.
Deposit date:2010-06-03
Release date:2010-09-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.14 Å)
Cite: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
Descriptor: Inner membrane protein, PHOSPHATE ION
Authors:Kirchweger, P, Muller, Y.A.
Deposit date:2019-03-04
Release date:2019-08-28
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: CALCIUM ION, COLLAGENASE 3, GLYCEROL, ...
Authors:Clark, K.L, Kulathila, R.
Deposit date:2011-08-10
Release date:2011-10-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: (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
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-01-21
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.098 Å)
Cite: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
Descriptor: 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
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-01-21
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.668 Å)
Cite: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
Descriptor: 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
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-01-21
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.07 Å)
Cite: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
Descriptor: 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
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-01-21
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.47 Å)
Cite: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
Descriptor: Proactivator polypeptide
Authors:Hawkins, C.A, de Alba, E, Tjandra, N.
Deposit date:2004-03-10
Release date:2005-03-01
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Solution structure of human saposin C in a detergent environment.
J.Mol.Biol., 346, 2005
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數據於2024-08-14公開中

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