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6D8M
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BU of 6d8m by Molmil
Group I self-splicing intron P4-P6 domain mutant A125U/G126U
Descriptor: Group I self-splicing intron, MAGNESIUM ION
Authors:Shoffner, G.M.
Deposit date:2018-04-26
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:In Crystallo Selection to Establish New RNA Crystal Contacts.
Structure, 26, 2018
6D8O
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BU of 6d8o by Molmil
Group I self-splicing intron P4-P6 domain mutant A230U
Descriptor: Group I self-splicing intron, MAGNESIUM ION
Authors:Shoffner, G.M.
Deposit date:2018-04-26
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.80112481 Å)
Cite:In Crystallo Selection to Establish New RNA Crystal Contacts.
Structure, 26, 2018
6D8N
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BU of 6d8n by Molmil
Group I self-splicing intron P4-P6 domain mutant G134A/U185AA
Descriptor: Group I self-splicing intron, MAGNESIUM ION
Authors:Shoffner, G.M.
Deposit date:2018-04-26
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.95427132 Å)
Cite:In Crystallo Selection to Establish New RNA Crystal Contacts.
Structure, 26, 2018
3V5J
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BU of 3v5j by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090
Descriptor: 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-16
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V8T
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BU of 3v8t by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
Descriptor: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3VF8
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BU of 3vf8 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416
Descriptor: 3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylurea, Tyrosine-protein kinase SYK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2012-01-09
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V8W
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BU of 3v8w by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 469
Descriptor: 3-[2-(5-phenyl-2H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V5L
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BU of 3v5l by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542
Descriptor: 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-16
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
6N64
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BU of 6n64 by Molmil
Crystal structure of mouse SMCHD1 hinge domain
Descriptor: Structural maintenance of chromosomes flexible hinge domain-containing protein 1, Uncharacterized peptide from Structural maintenance of chromosomes flexible hinge domain-containing protein 1
Authors:Birkinshaw, R.W, Chen, K, Czabotar, P.E, Blewitt, M.E, Murphy, J.M.
Deposit date:2018-11-25
Release date:2020-06-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the hinge domain of Smchd1 reveals its dimerization mode and nucleic acid-binding residues.
Sci.Signal., 13, 2020
6D8L
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BU of 6d8l by Molmil
Group I self-splicing intron P4-P6 domain mutant U131A (without isopropanol soaking)
Descriptor: Group I self-splicing intron, MAGNESIUM ION
Authors:Shoffner, G.M.
Deposit date:2018-04-26
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1402154 Å)
Cite:In Crystallo Selection to Establish New RNA Crystal Contacts.
Structure, 26, 2018
8P1S
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BU of 8p1s by Molmil
Bifidobacterium asteroides alpha-L-fucosidase (TT1819) in complex with fucose.
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifidobacterium asteroides alpha-L-fucosidase (TT1819), ...
Authors:Owen, C.D, Penner, M, Gascuena, A.N, Wu, H, Hernando, P.J, Monaco, S, Le Gall, G, Gardner, R, Ndeh, D, Urbanowicz, P.A, Spencer, D.I.R, Walsh, M.A, Angulo, J, Juge, N.
Deposit date:2023-05-12
Release date:2024-05-22
Last modified:2025-06-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring the sequence-function space of microbial fucosidases.
Commun Chem, 7, 2024
3VF9
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BU of 3vf9 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Thienopyrazolylindole Inhibitor 027
Descriptor: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, Tyrosine-protein kinase SYK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2012-01-09
Release date:2012-05-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
5GL6
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BU of 5gl6 by Molmil
Msmeg rimP
Descriptor: Ribosome maturation factor RimP
Authors:Chu, T, Lau, T.C.K.
Deposit date:2016-07-08
Release date:2017-07-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The ribosomal maturation factor P fromMycobacterium smegmatisfacilitates the ribosomal biogenesis by binding to the small ribosomal protein S12.
J. Biol. Chem., 294, 2019
5GO9
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BU of 5go9 by Molmil
Cryo-EM structure of RyR2 in closed state
Descriptor: RyR2, ZINC ION
Authors:Peng, W, Wu, J.P, Yan, N.
Deposit date:2016-07-26
Release date:2016-10-05
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis for the gating mechanism of the type 2 ryanodine receptor RyR2
Science, 354, 2016
5GS9
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BU of 5gs9 by Molmil
Crystal structure of CASTOR1-arginine
Descriptor: ARGININE, GATS-like protein 3
Authors:Zhang, T, Ding, J.
Deposit date:2016-08-15
Release date:2016-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insight into the arginine-binding specificity of CASTOR1 in amino acid-dependent mTORC1 signaling.
Cell Discov, 2, 2016
5GOA
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BU of 5goa by Molmil
Cryo-EM structure of RyR2 in open state
Descriptor: RyR2, ZINC ION
Authors:Peng, W, Wu, J.P, Yan, N.
Deposit date:2016-07-26
Release date:2016-10-05
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural basis for the gating mechanism of the type 2 ryanodine receptor RyR2
Science, 354, 2016
3MEG
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BU of 3meg by Molmil
HIV-1 K103N Reverse Transcriptase in Complex with TMC278
Descriptor: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ...
Authors:Lansdon, E.B.
Deposit date:2010-03-31
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
5ICK
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BU of 5ick by Molmil
A unique binding model of FXR LBD with feroline
Descriptor: (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate, Bile acid receptor, Nuclear receptor coactivator 2
Authors:Lu, Y, Li, Y.
Deposit date:2016-02-23
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
3MEC
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BU of 3mec by Molmil
HIV-1 Reverse Transcriptase in Complex with TMC125
Descriptor: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, SULFATE ION, p51 Reverse transcriptase, ...
Authors:Lansdon, E.B.
Deposit date:2010-03-31
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
5IAW
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BU of 5iaw by Molmil
Novel natural FXR modulator with a unique binding mode
Descriptor: (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxybenzoate, Bile acid receptor, Peptide from Nuclear receptor coactivator 2
Authors:Lu, Y, Li, Y.
Deposit date:2016-02-22
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A Novel Class of Natural FXR Modulators with a Unique Mode of Selective Co-regulator Assembly
Chembiochem, 18, 2017
5IVX
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BU of 5ivx by Molmil
Crystal Structure of B4.2.3 T-Cell Receptor and H2-Dd P18-I10 Complex
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Natarajan, K, Jiang, J, Margulies, D.
Deposit date:2016-03-21
Release date:2017-03-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An allosteric site in the T-cell receptor C beta domain plays a critical signalling role.
Nat Commun, 8, 2017
5IW1
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BU of 5iw1 by Molmil
Crystal Structure of B4.2.3 T-Cell Receptor
Descriptor: T-CELL RECEPTOR ALPHA CHAIN, T-CELL RECEPTOR BETA CHAIN
Authors:Natarajan, K, Jiang, J, Margulies, D.
Deposit date:2016-03-21
Release date:2017-03-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:An allosteric site in the T-cell receptor C beta domain plays a critical signalling role.
Nat Commun, 8, 2017
8YKA
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BU of 8yka by Molmil
Cryo-EM structure of P97-VCPIP1 complex
Descriptor: Deubiquitinating protein VCPIP1, Transitional endoplasmic reticulum ATPase
Authors:Liu, Y, Lu, P, Gao, H, Li, F.
Deposit date:2024-03-04
Release date:2024-10-02
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Molecular Basis of VCPIP1 and P97/VCP Interaction Reveals Its Functions in Post-Mitotic Golgi Reassembly.
Adv Sci, 11, 2024
3MED
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BU of 3med by Molmil
HIV-1 K103N Reverse Transcriptase in Complex with TMC125
Descriptor: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, CHLORIDE ION, SULFATE ION, ...
Authors:Lansdon, E.B.
Deposit date:2010-03-31
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
3MEE
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BU of 3mee by Molmil
HIV-1 Reverse Transcriptase in Complex with TMC278
Descriptor: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ...
Authors:Lansdon, E.B.
Deposit date:2010-03-31
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010

238582

數據於2025-07-09公開中

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