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6J29
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BU of 6j29 by Molmil
The structure of HLA-A*3003/MTB
Descriptor: Beta-2-microglobulin, HLA-A*3003, MTB
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-31
Release date:2019-09-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
7QJU
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BU of 7qju by Molmil
EED in complex with PRC2 allosteric inhibitor compound 7
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-17
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
7QJG
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EED in complex with PRC2 allosteric inhibitor compound 6
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-16
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
7QK4
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EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683)
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-17
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
8FG4
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BU of 8fg4 by Molmil
HRAS R97L Crystal Form 1
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Fetics, S, Johnson, C.W, Mattos, C.
Deposit date:2022-12-12
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
8FVJ
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BU of 8fvj by Molmil
Dimeric form of HIV-1 Vif in complex with human CBF-beta, ELOB, ELOC, and CUL5
Descriptor: Core-binding factor subunit beta, Cullin-5, Elongin-B, ...
Authors:Ito, F, Alvarez-Cabrera, A.L, Zhou, Z.H, Chen, X.S.
Deposit date:2023-01-19
Release date:2023-09-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structural basis of HIV-1 Vif-mediated E3 ligase targeting of host APOBEC3H.
Nat Commun, 14, 2023
5XW6
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BU of 5xw6 by Molmil
Crystal structure of the chicken ATP-gated P2X7 receptor channel in the presence of competitive antagonist TNP-ATP at 3.1 Angstroms
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, P2X purinoceptor, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE
Authors:Kasuya, G, Hattori, M, Nureki, O.
Deposit date:2017-06-29
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into the competitive inhibition of the ATP-gated P2X receptor channel
Nat Commun, 8, 2017
5XQ0
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BU of 5xq0 by Molmil
Structural basis of kindlin-mediated integrin recognition and activation
Descriptor: Fermitin family homolog 2,Integrin beta-1, GLYCEROL
Authors:Li, H, Yang, H, Sun, K, Zhang, Z, Yu, C, Wei, Z.
Deposit date:2017-06-05
Release date:2017-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis of kindlin-mediated integrin recognition and activation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8FVI
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BU of 8fvi by Molmil
Human APOBEC3H bound to HIV-1 Vif in complex with CBF-beta, ELOB, ELOC, and CUL5
Descriptor: Core-binding factor subunit beta, Cullin 5, DNA dC->dU-editing enzyme APOBEC-3H, ...
Authors:Ito, F, Alvarez-Cabrera, A.L, Zhou, Z.H, Chen, X.S.
Deposit date:2023-01-19
Release date:2023-09-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structural basis of HIV-1 Vif-mediated E3 ligase targeting of host APOBEC3H.
Nat Commun, 14, 2023
8FG3
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HRAS R97L Crystal Form 2
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Fetics, S, Johnson, C.W, Mattos, C.
Deposit date:2022-12-12
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
6J6L
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BU of 6j6l by Molmil
Crystal structure of mouse Ryanodine Receptor 2 SPRY1 Domain (650-844) disease mutant I784F
Descriptor: ISOPROPYL ALCOHOL, Ryanodine receptor 2
Authors:Ma, R, Lin, L, Yuchi, Z.
Deposit date:2019-01-15
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.452 Å)
Cite:A SPRY1 domain cardiac ryanodine receptor variant associated with short-coupled torsade de pointes.
Sci Rep, 11, 2021
5Y2B
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BU of 5y2b by Molmil
Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 1 in complex with HEPTA-N-ACETYLCHITOOCTAOSE (NAG)7
Descriptor: 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-(1-4)-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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, insect group II chitinase
Authors:Chen, W, Qu, M.B, Zhou, Y, Yang, Q.
Deposit date:2017-07-24
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of group II chitinase (ChtII) catalysis completes the puzzle of chitin hydrolysis in insects
J. Biol. Chem., 293, 2018
7QCD
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BU of 7qcd by Molmil
CryoEM structure of the Smc5/6-holocomplex (composite structure)
Descriptor: E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 3, Non-structural maintenance of chromosome element 4, ...
Authors:Hallett, S.T, Oliver, A.W.
Deposit date:2021-11-23
Release date:2022-09-21
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Cryo-EM structure of the Smc5/6 holo-complex.
Nucleic Acids Res., 50, 2022
5Y2C
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BU of 5y2c by Molmil
Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 2 E2180L mutant in complex with PENTA-N-ACETYLCHITOOCTAOSE (NAG)5
Descriptor: 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, insect group II chitinase
Authors:Chen, W, Qu, M.B, Zhou, Y, Yang, Q.
Deposit date:2017-07-24
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural analysis of group II chitinase (ChtII) catalysis completes the puzzle of chitin hydrolysis in insects
J. Biol. Chem., 293, 2018
8FCI
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BU of 8fci by Molmil
tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:Lavallee, T, Mehta, K, Young, A, Cortes, J, Isaacson, B, Brylewski, J, Schlegel, F, Doti, L, Battaile, K, Stojanoff, V, Perez, A, Bolen, R.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine
To Be Published
7QH0
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BU of 7qh0 by Molmil
Apo structure of the Leishmania mexicana triose-phosphate isomerase (LmTIM), N11A-E65Q variant, open conformation
Descriptor: CHLORIDE ION, SODIUM ION, Triosephosphate isomerase
Authors:Cordara, G, Wierenga, R.K.
Deposit date:2021-12-10
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Role of Asn11 in Catalysis by Triosephosphate Isomerase.
Biochemistry, 62, 2023
8FCH
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BU of 8fch by Molmil
Apo Structure of (N1G37) Methyltransferase from Mycobacterium avium
Descriptor: tRNA (guanine-N(1)-)-methyltransferase
Authors:Isaacson, B, Brylewski, J, Schlegel, F, Cortes, J, Lavallee, T, Mehta, K, Young, A, Doti, L, Battaile, K.P, Stojanoff, V, Perez, A, Bolen, R.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.956 Å)
Cite:Apo structure of (N1G37) Methyltransferase from Mycobacterium avium.
To Be Published
6J1V
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BU of 6j1v by Molmil
The structure of HLA-A*3003/RT313
Descriptor: Beta-2-microglobulin, HLA-A*3003, RT313
Authors:Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
Deposit date:2018-12-29
Release date:2019-09-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
5XZC
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BU of 5xzc by Molmil
Cryo-EM structure of p300-p53 protein complex
Descriptor: Cellular tumor antigen p53, Histone acetyltransferase p300
Authors:Ghosh, R, Roy, S, Sengupta, J.
Deposit date:2017-07-12
Release date:2019-01-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (10.7 Å)
Cite:Tumor suppressor p53-mediated structural reorganization of the transcriptional coactivator p300.
Biochemistry, 2019
6HA9
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BU of 6ha9 by Molmil
Structure of an endo-Xyloglucanase from Cellvibrio japonicus complexed with XXXG(2F)-beta-DNP
Descriptor: Cellulase, putative, cel5D, ...
Authors:Offen, W.A, Davies, G.J.
Deposit date:2018-08-07
Release date:2018-10-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synthesis and application of a highly branched, mechanism-based 2-deoxy-2-fluoro-oligosaccharide inhibitor of endo-xyloglucanases.
Org. Biomol. Chem., 16, 2018
6HTX
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BU of 6htx by Molmil
WT Hepatitis B core protein capsid
Descriptor: Capsid protein
Authors:Bottcher, B, Nassal, M.
Deposit date:2018-10-05
Release date:2018-12-26
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structure of Mutant Hepatitis B Core Protein Capsids with Premature Secretion Phenotype.
J. Mol. Biol., 430, 2018
7QB0
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BU of 7qb0 by Molmil
Solution structure of paxillin LIM2/3
Descriptor: Isoform Alpha of Paxillin, ZINC ION
Authors:Prestel, A, Michaelis, M, Klishin, N, Moeller, H.M.
Deposit date:2021-11-17
Release date:2022-11-30
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A flexible loop in the paxillin LIM3 domain mediates direct binding to integrin beta3
To Be Published
5Y2A
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BU of 5y2a by Molmil
Crystal structure of Ostrinia furnacalis Group II chitinase catalytic domain 2
Descriptor: alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, insect group II chitinase
Authors:Chen, W, Qu, M.B, Zhou, Y, Yang, Q.
Deposit date:2017-07-24
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of group II chitinase (ChtII) catalysis completes the puzzle of chitin hydrolysis in insects
J. Biol. Chem., 293, 2018
6JDP
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BU of 6jdp by Molmil
the imm52 family protein TsiT (PA3908) from Pseudomonas aeruginosa
Descriptor: Imm52 family protein, PHOSPHATE ION, SODIUM ION
Authors:She, Z.
Deposit date:2019-02-02
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structural characterization of the Imm52 family protein TsiT in Pseudomonas aeruginosa.
Protein Sci., 28, 2019
6JD8
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BU of 6jd8 by Molmil
Structure of a proline specific mutant of human cathepsin L
Descriptor: 1,2-ETHANEDIOL, Cathepsin L1, DI(HYDROXYETHYL)ETHER, ...
Authors:Choudhury, D, Biswas, S.
Deposit date:2019-01-31
Release date:2020-02-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.457 Å)
Cite:Structure-guided protein engineering of human cathepsin L for efficient collagenolytic activity.
Protein Eng.Des.Sel., 34, 2021

223790

数据于2024-08-14公开中

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