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5JRS
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BU of 5jrs by Molmil
CRYSTAL STRUCTURE OF BRUTON AGAMMAGLOBULINEMIA TYROSINE KINASE COMPLEXED WITH 4-[2-FLUORO-3-(4-OXO -3,4-DIHYDROQUINAZOLIN-3-YL)PHENYL]-7-(2-HYDROXYPROPAN-2-Y L)-9H-CARBAZOLE-1-CARBOXAMIDE
Descriptor: 4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase BTK
Authors:Muckelbauer, J.K.
Deposit date:2016-05-06
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177).
J.Med.Chem., 59, 2016
7TNC
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BU of 7tnc by Molmil
M13F/G116F Pseudomonas aeruginosa azurin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, CHLORIDE ION, ...
Authors:Liu, Y, Lu, Y.
Deposit date:2022-01-20
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural Basis for the Effects of Phenylalanine on Tuning the Reduction Potential of Type 1 Copper in Azurin.
Inorg.Chem., 62, 2023
8DTX
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BU of 8dtx by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22
Descriptor: COV89-22 heavy chain, COV89-22 light chain, Spike protein S2' stem helix peptide
Authors:Lin, T.H, Lee, C.C.D, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8DTR
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BU of 8dtr by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV30-14
Descriptor: COV30-14 heavy chain, COV30-14 light chain, Spike protein S2' stem helix peptide
Authors:Lee, C.C.D, Lin, T.H, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
3DOF
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BU of 3dof by Molmil
Complex of ARL2 and BART, Crystal Form 2
Descriptor: ADP-ribosylation factor-like protein 2, ADP-ribosylation factor-like protein 2-binding protein, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, T, Li, S, Ding, J.
Deposit date:2008-07-04
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the ARL2-GTP-BART complex reveals a novel recognition and binding mode of small GTPase with effector
Structure, 17, 2009
8DTT
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BU of 8dtt by Molmil
Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03
Descriptor: COV93-03 heavy chain, COV93-03 light chain, Spike protein S2' stem helix peptide
Authors:Lee, C.C.D, Lin, T.H, Wilson, I.A.
Deposit date:2022-07-26
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Rare, convergent antibodies targeting the stem helix broadly neutralize diverse betacoronaviruses.
Cell Host Microbe, 31, 2023
8QCT
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BU of 8qct by Molmil
Cryo-EM structure of the inward-facing choline-bound FLVCR1
Descriptor: CHOLINE ION, Heme transporter FLVCR1
Authors:Weng, T.-H, Wu, D, Safarian, S.
Deposit date:2023-08-28
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
8QCS
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BU of 8qcs by Molmil
Cryo-EM structure of the inward-facing FLVCR1
Descriptor: Heme transporter FLVCR1
Authors:Weng, T.-H, Wu, D, Safarian, S.
Deposit date:2023-08-28
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
7U2F
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BU of 7u2f by Molmil
G116F Pseudomonas aeruginosa azurin
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Azurin, COPPER (II) ION
Authors:Liu, Y, Lu, Y.
Deposit date:2022-02-23
Release date:2023-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for the Effects of Phenylalanine on Tuning the Reduction Potential of Type 1 Copper in Azurin.
Inorg.Chem., 62, 2023
8QCX
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BU of 8qcx by Molmil
Cryo-EM structure of the inward-facing FLVCR2
Descriptor: Heme transporter FLVCR2
Authors:Weng, T.-H, Wu, D, Safarian, S.
Deposit date:2023-08-28
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
8QCY
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BU of 8qcy by Molmil
Cryo-EM structure of the outward-facing FLVCR2
Descriptor: Heme transporter FLVCR2
Authors:Weng, T.-H, Wu, D, Safarian, S.
Deposit date:2023-08-28
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
8QD0
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BU of 8qd0 by Molmil
Cryo-EM structure of the inward-facing choline-bound FLVCR2
Descriptor: CHOLINE ION, Heme transporter FLVCR2
Authors:Weng, T.-H, Wu, D, Safarian, S.
Deposit date:2023-08-28
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Molecular mechanism of choline and ethanolamine transport in humans.
Nature, 630, 2024
4ZH2
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BU of 4zh2 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBR703
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Feng, Y, Ebright, R.H.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.204 Å)
Cite:Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
8JYE
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BU of 8jye by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with HMBPP
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, ...
Authors:Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H.
Deposit date:2023-07-03
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JYA
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BU of 8jya by Molmil
Crystal Structure of Intracellular B30.2 Domain of VpBTN3 in Complex with IPP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Butyrophylin 3, SULFATE ION
Authors:Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2023-07-03
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JYF
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BU of 8jyf by Molmil
Crystal Structure of Intracellular B30.2 Domain of VpBTN3 in Complex with DMAPP
Descriptor: Butyrophylin 3, DIMETHYLALLYL DIPHOSPHATE, SULFATE ION
Authors:Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2023-07-03
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JYC
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BU of 8jyc by Molmil
Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with DMAPP
Descriptor: 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1, ...
Authors:Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H.
Deposit date:2023-07-03
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JY9
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BU of 8jy9 by Molmil
Crystal Structure of Intracellular B30.2 Domain of VpBTN3 in Complex with HMBPP
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophylin 3, SULFATE ION
Authors:Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2023-07-03
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
8JYB
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BU of 8jyb by Molmil
Crystal Structure of Intracellular B30.2 Domain of VpBTN3
Descriptor: Butyrophylin 3, SULFATE ION
Authors:Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T.
Deposit date:2023-07-03
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
4GUT
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BU of 4gut by Molmil
Crystal structure of LSD2-NPAC
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1B, ...
Authors:Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
Deposit date:2012-08-29
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
4GU1
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BU of 4gu1 by Molmil
Crystal structure of LSD2
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ...
Authors:Chen, F, Dong, Z, Fang, J, Yang, Y, Li, Z, Xu, Y, Yang, H, Wang, P, Fang, R, Shi, Y, Xu, Y.
Deposit date:2012-08-29
Release date:2013-01-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.939 Å)
Cite:LSD2/KDM1B and its cofactor NPAC/GLYR1 endow a structural and molecular model for regulation of H3K4 demethylation
Mol.Cell, 49, 2013
8GTP
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BU of 8gtp by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with XGv289
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
Deposit date:2022-09-08
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
8GTO
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BU of 8gto by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with XGv282
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
Deposit date:2022-09-08
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
8GTQ
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BU of 8gtq by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with S2L20
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
Deposit date:2022-09-08
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
7V2S
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BU of 7v2s by Molmil
Crystal structure of juvenile hormone acid methyltransferase JHAMT isoform3 from silkworm
Descriptor: Methyltranfer_dom domain-containing protein
Authors:Guo, P.C, Zhang, Y.S, Zhang, l, Xu, H.Y.
Deposit date:2021-08-09
Release date:2022-08-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.133 Å)
Cite:Structural characterization and functional analysis of juvenile hormone acid methyltransferase JHAMT3 from the silkworm, Bombyx mori.
Insect Biochem.Mol.Biol., 151, 2022

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數據於2024-10-16公開中

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