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PDB: 333 件

6JP3
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Crystal structure of peptide in complex with HLA-A1101.
分子名称: ALA-MET-TYR-LYS, ALA-THR-ILE-GLY-THR, Beta-2-microglobulin, ...
著者Huan, X, Xiao, Z, Ren, E.C.
登録日2019-03-25
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of suboptimal viral fragments of Epstein Barr Virus Rta peptide-HLA complex that stimulate CD8 T cell response.
Sci Rep, 9, 2019
6JOZ
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Crystal structure of BRLF peptide from EBV in complex with HLA-A1101.
分子名称: ALA-THR-ILE-GLY-THR-ALA-MET-TYR-LYS, Beta-2-microglobulin, GLYCEROL, ...
著者Huan, X, Xiao, Z, Tadwal, V.S, Ren, E.C.
登録日2019-03-25
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structure of suboptimal viral fragments of Epstein Barr Virus Rta peptide-HLA complex that stimulate CD8 T cell response.
Sci Rep, 9, 2019
7WZZ
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Crystal structure of peptide KAGQVVTIW in complex with HLA-B5801
分子名称: Beta-2-microglobulin, GLYCEROL, LYS-ALA-GLY-GLN-VAL-VAL-THR-ILE-TRP, ...
著者Huan, X, Ren, E.C.
登録日2022-02-20
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.305 Å)
主引用文献Allopurinol non-covalently facilitates binding of unconventional peptides to HLA-B*58:01.
Sci Rep, 13, 2023
7X00
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Crystal structure of peptide VSFIEFVGW in complex with HLA-B5801
分子名称: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
著者Huan, X, Ren, E.C.
登録日2022-02-20
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Allopurinol non-covalently facilitates binding of unconventional peptides to HLA-B*58:01.
Sci Rep, 13, 2023
7X1B
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BU of 7x1b by Molmil
Crystal structure of peptide KAGQVVTI in complex with HLA-B5801
分子名称: Beta-2-microglobulin, GLYCEROL, HLA-B, ...
著者Huan, X, Ren, E.C.
登録日2022-02-23
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献Allopurinol non-covalently facilitates binding of unconventional peptides to HLA-B*58:01.
Sci Rep, 13, 2023
7X1C
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Crystal structure of peptide VSFIEFVI in complex with HLA-B5801
分子名称: Beta-2-microglobulin, GLYCEROL, HLA-B, ...
著者Huan, X, Ren, E.C.
登録日2022-02-23
公開日2023-05-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.409 Å)
主引用文献Allopurinol non-covalently facilitates binding of unconventional peptides to HLA-B*58:01.
Sci Rep, 13, 2023
6CZS
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BU of 6czs by Molmil
Crystal structure of human pro-cathepsin H C26S mutant
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Pro-cathepsin H, ...
著者Huang, X, Hao, Y.
登録日2018-04-09
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structures of human procathepsin H.
PLoS ONE, 13, 2018
4I9I
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Crystal structure of tankyrase 1 with compound 4
分子名称: N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide, Tankyrase-1, ZINC ION
著者Huang, X.
登録日2012-12-05
公開日2013-02-06
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket.
J.Med.Chem., 56, 2013
3EDW
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Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
分子名称: SULFATE ION, Thymidylate synthase
著者Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
登録日2008-09-03
公開日2010-03-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
3EF9
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Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
分子名称: SULFATE ION, Thymidylate synthase
著者Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
登録日2008-09-08
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
3ED7
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Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
分子名称: SULFATE ION, Thymidylate synthase
著者Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
登録日2008-09-02
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
8I3D
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Cryo-EM structure of abscisic acid transporter AtABCG25
分子名称: ABC transporter G family member 25
著者Huang, X, Zhang, X, Zhang, P.
登録日2023-01-17
公開日2023-09-13
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Cryo-EM structure and molecular mechanism of abscisic acid transporter ABCG25.
Nat.Plants, 9, 2023
8I39
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Cryo-EM structure of abscisic acid transporter AtABCG25 with ABA
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABC transporter G family member 25
著者Huang, X, Zhang, X, Zhang, P.
登録日2023-01-16
公開日2023-09-13
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Cryo-EM structure and molecular mechanism of abscisic acid transporter ABCG25.
Nat.Plants, 9, 2023
8I3B
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Cryo-EM structure of abscisic acid transporter AtABCG25 in nanodisc
分子名称: ABC transporter G family member 25, ADENOSINE-5'-TRIPHOSPHATE
著者Huang, X, Zhang, X, Zhang, P.
登録日2023-01-16
公開日2023-09-13
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Cryo-EM structure and molecular mechanism of abscisic acid transporter ABCG25.
Nat.Plants, 9, 2023
8I3C
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Cryo-EM structure of abscisic acid transporter AtABCG25 with CHS
分子名称: ABC transporter G family member 25, CHOLESTEROL HEMISUCCINATE
著者Huang, X, Zhang, X, Zhang, P.
登録日2023-01-16
公開日2023-09-13
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Cryo-EM structure and molecular mechanism of abscisic acid transporter ABCG25.
Nat.Plants, 9, 2023
8I38
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Cryo-EM structure of abscisic acid transporter AtABCG25 in inward conformation
分子名称: ABC transporter G family member 25
著者Huang, X, Zhang, X, Zhang, P.
登録日2023-01-16
公開日2023-09-13
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structure and molecular mechanism of abscisic acid transporter ABCG25.
Nat.Plants, 9, 2023
8I3A
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BU of 8i3a by Molmil
Cryo-EM structure of abscisic acid transporter AtABCG25 in outward conformation
分子名称: ABC transporter G family member 25, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Huang, X, Zhang, X, Zhang, P.
登録日2023-01-16
公開日2023-09-13
最終更新日2023-11-01
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Cryo-EM structure and molecular mechanism of abscisic acid transporter ABCG25.
Nat.Plants, 9, 2023
6IP2
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BU of 6ip2 by Molmil
NSF-D1D2 part in the whole 20S complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Vesicle-fusing ATPase
著者Huang, X, Sun, S, Wang, X, Fan, F, Zhou, Q, Sui, S.F.
登録日2018-11-01
公開日2019-04-24
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Mechanistic insights into the SNARE complex disassembly.
Sci Adv, 5, 2019
6OQB
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BU of 6oqb by Molmil
Co-crystal structure of Mcl1 with inhibitor 10
分子名称: (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-04-26
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQD
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Crystal structure of Mcl1 with inhibitor 8
分子名称: (4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-04-26
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6O6F
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BU of 6o6f by Molmil
Co-crystal structure of Mcl1 with inhibitor
分子名称: (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-03-06
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQN
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Crystal structure of Mcl1 with inhibitor 7
分子名称: (4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-04-26
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6O6G
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BU of 6o6g by Molmil
Co-crystal structure of Mcl1 with inhibitor
分子名称: (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Huang, X.
登録日2019-03-06
公開日2019-05-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
4RPV
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co-crystal structure of Pim1 with compound 3
分子名称: (3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine, Serine/threonine-protein kinase pim-1
著者Huang, X.
登録日2014-10-31
公開日2015-02-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8IGN
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Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024

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