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7F5F
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BU of 7f5f by Molmil
SARS-CoV-2 ORF8 S84
分子名称: CALCIUM ION, ORF8 protein
著者Chen, S, Zhou, Z, Chen, X.
登録日2021-06-22
公開日2022-01-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal Structures of Bat and Human Coronavirus ORF8 Protein Ig-Like Domain Provide Insights Into the Diversity of Immune Responses.
Front Immunol, 12, 2021
5TKB
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BU of 5tkb by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D IN COMPLEX WITH A TETRAFLUORANLINE COMPOUND
分子名称: ETHANOL, MAGNESIUM ION, N-[(2R)-2,3-dihydroxy-2-methylpropyl]-8-(methylamino)-6-[(2,3,5,6-tetrafluorophenyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide, ...
著者Sack, J.S.
登録日2016-10-06
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
5TKD
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BU of 5tkd by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH 6-[(3,5-DIMETHYLPHE NYL)AMINO]-8- (METHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBO XAMIDE
分子名称: 6-[(3,5-dimethylphenyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Muckelbauer, J.K.
登録日2016-10-06
公開日2016-12-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Identification of imidazo[1,2-b]pyridazine TYK2 pseudokinase ligands as potent and selective allosteric inhibitors of TYK2 signalling.
Medchemcomm, 8, 2017
5S9R
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BU of 5s9r by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
分子名称: 1,2-ETHANEDIOL, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ...
著者Sheriff, S.
登録日2021-04-01
公開日2021-09-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
5S9O
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BU of 5s9o by Molmil
CRYSTAL STRUCTURE OF THE HUMAN BRD2 BD1 BROMODOMAIN IN COMPLEX WITH 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide
分子名称: 1,2-ETHANEDIOL, 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide, Bromodomain-containing protein 2
著者Sheriff, S.
登録日2021-04-01
公開日2021-09-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
5S9P
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BU of 5s9p by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide
分子名称: 1,2-ETHANEDIOL, 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4
著者Sheriff, S.
登録日2021-04-01
公開日2021-09-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
5S9Q
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BU of 5s9q by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4
著者Sheriff, S.
登録日2021-04-01
公開日2021-09-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
2OJU
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BU of 2oju by Molmil
X-ray structure of complex of human cyclophilin J with cyclosporin A
分子名称: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE-LIKE 3
著者Xia, Z, Huang, L.
登録日2007-01-14
公開日2008-01-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting Cyclophilin J, a Novel Peptidyl-Prolyl Isomerase, Can Induce Cellular G1/S Arrest and Repress the Growth of Hepatocellular Carcinoma
To be Published
8D0Q
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BU of 8d0q by Molmil
Human FUT9 bound to GDP-CF3-Fucose and H-Type 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GUANOSINE-5'-DIPHOSPHATE, ...
著者Kadirvelraj, R, Wood, Z.A.
登録日2022-05-26
公開日2023-05-31
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
8D0S
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BU of 8d0s by Molmil
Human FUT9 bound to GDP and LNnT
分子名称: 1,2-ETHANEDIOL, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GUANOSINE-5'-DIPHOSPHATE, ...
著者Kadirvelraj, R, Wood, Z.A.
登録日2022-05-26
公開日2023-05-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
8D0U
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BU of 8d0u by Molmil
Human FUT9 bound to GDP
分子名称: 1,2-ETHANEDIOL, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GUANOSINE-5'-DIPHOSPHATE, ...
著者Kadirvelraj, R, Wood, Z.A.
登録日2022-05-26
公開日2023-05-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
8D0W
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BU of 8d0w by Molmil
Human FUT9 bound to H-Type 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GLYCEROL, ...
著者Kadirvelraj, R, Wood, Z.A.
登録日2022-05-26
公開日2023-05-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.332 Å)
主引用文献Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
8D0O
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BU of 8d0o by Molmil
Human alpha1,3-fucosyltransferase FUT9, heavy atom derivative
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, CESIUM ION, ...
著者Kadirvelraj, R, Wood, Z.A.
登録日2022-05-26
公開日2023-05-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
8D0X
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BU of 8d0x by Molmil
Human FUT9 bound to LNnT
分子名称: 1,2-ETHANEDIOL, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GLYCEROL, ...
著者Kadirvelraj, R, Wood, Z.A.
登録日2022-05-26
公開日2023-05-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
8D0P
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BU of 8d0p by Molmil
Human FUT9, unliganded
分子名称: 1,2-ETHANEDIOL, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, SULFATE ION, ...
著者Kadirvelraj, R, Wood, Z.A.
登録日2022-05-26
公開日2023-05-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
8D0R
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BU of 8d0r by Molmil
Human FUT9 bound to GDP and H-Type 2
分子名称: 1,2-ETHANEDIOL, 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9, GUANOSINE-5'-DIPHOSPHATE, ...
著者Kadirvelraj, R, Wood, Z.A.
登録日2022-05-26
公開日2023-05-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis for Lewis antigen synthesis by the alpha 1,3-fucosyltransferase FUT9.
Nat.Chem.Biol., 19, 2023
2OK3
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BU of 2ok3 by Molmil
X-ray structure of human cyclophilin J at 2.0 angstrom
分子名称: NICKEL (II) ION, Peptidyl-prolyl cis-trans isomerase-like 3
著者Xia, Z.
登録日2007-01-15
公開日2008-01-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting Cyclophilin J, a novel peptidyl-prolyl isomerase, can induce cellular G1/S arrest and repress the growth of Hepatocellular carcinoma
To be Published
5U36
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BU of 5u36 by Molmil
Crystal Structure Of A Mutant M. Jannashii Tyrosyl-tRNA Synthetase
分子名称: Tyrosine--tRNA ligase
著者Luo, X, Fu, G, Zhu, X, Wilson, I.A, Wang, F.
登録日2016-12-01
公開日2017-06-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Genetically encoding phosphotyrosine and its nonhydrolyzable analog in bacteria.
Nat. Chem. Biol., 13, 2017
8HMF
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BU of 8hmf by Molmil
head module state 2 of Tetrahymena IFT-A
分子名称: Intraflagellar transport protein 122 homolog, Intraflagellar transporter, WD40 repeat protein, ...
著者Ma, Y, Wu, J, Lei, M.
登録日2022-12-03
公開日2023-06-14
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural insight into the intraflagellar transport complex IFT-A and its assembly in the anterograde IFT train.
Nat Commun, 14, 2023
8HMD
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BU of 8hmd by Molmil
base module state 2 of Tetrahymena IFT-A
分子名称: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 43 homolog, Tetratricopeptide repeat protein, ...
著者Ma, Y, Wu, J, Lei, M.
登録日2022-12-03
公開日2023-06-14
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Structural insight into the intraflagellar transport complex IFT-A and its assembly in the anterograde IFT train.
Nat Commun, 14, 2023
1H4N
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BU of 1h4n by Molmil
H94N CARBONIC ANHYDRASE II COMPLEXED WITH TRIS
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CARBONIC ANHYDRASE II, ZINC ION
著者Lesburg, C.A, Christianson, D.W.
登録日1997-05-29
公開日1997-09-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
1H9Q
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H119Q CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Lesburg, C.A, Christianson, D.W.
登録日1997-05-29
公開日1997-09-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
1H9N
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BU of 1h9n by Molmil
H119N CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, ZINC ION
著者Lesburg, C.A, Christianson, D.W.
登録日1997-05-29
公開日1997-09-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Histidine --> carboxamide ligand substitutions in the zinc binding site of carbonic anhydrase II alter metal coordination geometry but retain catalytic activity.
Biochemistry, 36, 1997
7MBO
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BU of 7mbo by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian
著者Sheriff, S.
登録日2021-04-01
公開日2021-09-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (0.924 Å)
主引用文献Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
2LJV
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BU of 2ljv by Molmil
Solution structure of Rhodostomin G50L mutant
分子名称: Disintegrin rhodostomin
著者Chuang, W, Shiu, J, Chen, C, Chen, Y, Chang, Y, Huang, C.
登録日2011-09-29
公開日2012-10-03
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献Design of Integrin AlphaVbeta3-Specific Disintegrin for Cancer Therapy
To be Published

238582

件を2025-07-09に公開中

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