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2R82
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BU of 2r82 by Molmil
Pyruvate phosphate dikinase (PPDK) triple mutant R219E/E271R/S262D adapts a second conformational state
分子名称: Pyruvate, phosphate dikinase, SULFATE ION
著者Lim, K, Read, R.J, Chen, C.C, Herzberg, O.
登録日2007-09-10
公開日2008-01-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Swiveling domain mechanism in pyruvate phosphate dikinase.
Biochemistry, 46, 2007
8T5C
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BU of 8t5c by Molmil
Lassa GPC Trimer in complex with Fab 8.11G and nanobody D5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 8.11G Heavy Chain, 8.11G Light Chain, ...
著者Gorman, J, Kwong, P.D.
登録日2023-06-13
公開日2024-01-03
最終更新日2024-01-24
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Cleavage-intermediate Lassa virus trimer elicits neutralizing responses, identifies neutralizing nanobodies, and reveals an apex-situated site-of-vulnerability.
Nat Commun, 15, 2024
6E40
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BU of 6e40 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complexed with ferric heme and Epacadostat
分子名称: Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE
著者Luo, S, Tong, L.
登録日2018-07-16
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.306 Å)
主引用文献High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E42
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BU of 6e42 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and 4-Chlorophenyl imidazole
分子名称: 4-(3-chlorophenyl)-1H-imidazole, Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, ...
著者Luo, S, Tong, L.
登録日2018-07-16
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E41
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BU of 6e41 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and an Epacadostat analog
分子名称: Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE
著者Luo, S, Tong, L.
登録日2018-07-16
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.291 Å)
主引用文献High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E43
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BU of 6e43 by Molmil
Crystal structure of human indoleamine 2,3-dioxygenase 1 (IDO1) in complex with a BMS-978587 analog
分子名称: (1R,2S)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, BENZOIC ACID, Indoleamine 2,3-dioxygenase 1
著者Luo, S, Tong, L.
登録日2018-07-16
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E45
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BU of 6e45 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) free enzyme in the ferrous state
分子名称: GLYCEROL, Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, ...
著者Luo, S, Tong, L.
登録日2018-07-16
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E44
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BU of 6e44 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) free enzyme in the ferric state
分子名称: Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE
著者Luo, S, Tong, L.
登録日2018-07-16
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E46
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BU of 6e46 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferrous heme and tryptophan
分子名称: Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Luo, S, Tong, L.
登録日2018-07-16
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
4NRM
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BU of 4nrm by Molmil
Crystal structure of human ALKBH5 in complex with citrate and acetate
分子名称: ACETATE ION, CITRATE ANION, RNA demethylase ALKBH5
著者Feng, C, Chen, Z, Liu, Y.
登録日2013-11-27
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
4NRP
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BU of 4nrp by Molmil
Crystal structure of human ALKBH5 in complex with N-oxalylglycine
分子名称: MANGANESE (II) ION, N-OXALYLGLYCINE, RNA demethylase ALKBH5
著者Feng, C, Chen, Z, Liu, Y.
登録日2013-11-27
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
4NRO
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BU of 4nro by Molmil
Crystal structure of human ALKBH5 in complex with alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, MANGANESE (II) ION, RNA demethylase ALKBH5
著者Feng, C, Chen, Z, Liu, Y.
登録日2013-11-27
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
4NRQ
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BU of 4nrq by Molmil
Crystal structure of human ALKBH5 in complex with pyridine-2,4-dicarboxylate
分子名称: MANGANESE (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, RNA demethylase ALKBH5
著者Feng, C, Chen, Z, Liu, Y.
登録日2013-11-27
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
8FR6
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BU of 8fr6 by Molmil
Antibody vFP53.02 in complex with HIV-1 envelope trimer BG505 DS-SOSIP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Wang, S, Kwong, P.D.
登録日2023-01-06
公開日2023-04-19
最終更新日2023-06-07
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
2O14
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BU of 2o14 by Molmil
X-Ray Crystal Structure of Protein YXIM_BACsu from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR595
分子名称: Hypothetical protein yxiM, MANGANESE (II) ION, SULFATE ION
著者Kuzin, A.P, Chen, Y, Seetharaman, J, Chen, C.X, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2006-11-28
公開日2006-12-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-Ray structure of the hypothetical protein YXIM_BACsu from Bacillus subtilis.
To be Published
4O7X
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BU of 4o7x by Molmil
Crystal structure of human ALKBH5 in complex with Mn2+
分子名称: MANGANESE (II) ION, RNA demethylase ALKBH5
著者Feng, C, Chen, Z, Liu, Y.
登録日2013-12-26
公開日2014-03-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structures of the human RNA demethylase Alkbh5 reveal basis for substrate recognition
J.Biol.Chem., 289, 2014
4ZSE
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BU of 4zse by Molmil
Crystal structure of EGFR 696-1022 T790M/V948R, crystal form II
分子名称: 1,2-ETHANEDIOL, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Yan, X.E, Yun, C.H.
登録日2015-05-13
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Ibrutinib Selectively and Irreversibly Targets EGFR-mutant non-Small Cell Lung Cancer Cells
To Be Published
4NWK
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BU of 4nwk by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
分子名称: GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ...
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
4NWL
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BU of 4nwl by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
分子名称: HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
著者Muckelbauer, J.K, Klei, H.E.
登録日2013-12-06
公開日2014-03-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
6ISU
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BU of 6isu by Molmil
Crystal structure of Lys27-linked di-ubiquitin in complex with its selective interacting protein UCHL3
分子名称: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L3
著者Ding, S, Pan, M, Zheng, Q, Ren, Y, Hong, D.
登録日2018-11-19
公開日2019-02-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.866 Å)
主引用文献Chemical Protein Synthesis Enabled Mechanistic Studies on the Molecular Recognition of K27-linked Ubiquitin Chains.
Angew. Chem. Int. Ed. Engl., 58, 2019
6IVU
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BU of 6ivu by Molmil
Solution structure of the Sigma-anti-sigma factor complex RsgI1N-SigI1C from Clostridium thermocellum
分子名称: Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1
著者Wei, Z, Feng, Y.
登録日2018-12-04
公開日2019-05-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma /anti-sigma complex.
Nucleic Acids Res., 47, 2019
6IVS
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BU of 6ivs by Molmil
Solution structure of the N-terminal domain of the anti-sigma factor RsgI1 from Clostridium thermocellum
分子名称: Anti-sigma-I factor RsgI1
著者Wei, Z, Feng, Y.
登録日2018-12-04
公開日2019-05-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma /anti-sigma complex.
Nucleic Acids Res., 47, 2019
4NT4
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BU of 4nt4 by Molmil
Crystal structure of the kinase domain of Gilgamesh isoform I from Drosophila melanogaster
分子名称: GLYCEROL, Gilgamesh, isoform I, ...
著者Chen, C.C, Shi, Z.B, Zhou, Z.C.
登録日2013-11-30
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structure of the kinase domain of Gilgamesh from Drosophila melanogaster
Acta Crystallogr.,Sect.F, 70, 2014
5HU9
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BU of 5hu9 by Molmil
Crystal structure of ABL1 in complex with CHMFL-074
分子名称: 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2016-01-27
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.529 Å)
主引用文献Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML)
Oncotarget, 7, 2016
1M07
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BU of 1m07 by Molmil
RESIDUES INVOLVED IN THE CATALYSIS AND BASE SPECIFICITY OF CYTOTOXIC RIBONUCLEASE FROM BULLFROG (RANA CATESBEIANA)
分子名称: 5'-D(*AP*CP*GP*A)-3', Ribonuclease
著者Leu, Y.-J, Chern, S.-S, Wang, S.-C, Hsiao, Y.-Y, Amiraslanov, I, Liaw, Y.-C, Liao, Y.-D.
登録日2002-06-12
公開日2003-01-21
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Residues involved in the catalysis, base specificity, and cytotoxicity of ribonuclease from Rana catesbeiana based upon mutagenesis and X-ray crystallography
J.Biol.Chem., 278, 2003

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