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6TOO
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BU of 6too by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 11a
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
2MZM
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BU of 2mzm by Molmil
The Solution Structure of the Magnesium-bound Conantokin-G
分子名称: Conantokin-R1-B
著者Kunda, S, Yuan, Y, Balsara, R.D, Zajicek, J, Castellino, F.J.
登録日2015-02-14
公開日2015-06-17
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Hydroxyproline-induced Helical Disruption in Conantokin Rl-B Affects Subunit-selective Antagonistic Activities toward Ion Channels of N-Methyl-d-aspartate Receptors.
J.Biol.Chem., 290, 2015
5BTG
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BU of 5btg by Molmil
Crystal structure of a topoisomerase II complex
分子名称: (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, DNA gyrase subunit A, DNA gyrase subunit B, ...
著者Blower, T.R, Williamson, B.H, Kerns, R.J, Berger, J.M.
登録日2015-06-03
公開日2016-03-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure and stability of gyrase-fluoroquinolone cleaved complexes from Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 113, 2016
2W3G
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BU of 2w3g by Molmil
Air-oxidized structure of the first GAF domain of Mycobacterium tuberculosis DosS
分子名称: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, TWO COMPONENT SENSOR HISTIDINE KINASE DEVS (GAF FAMILY PROTEIN)
著者Kang, B.S, Cho, H.Y, Cho, H.J.
登録日2008-11-12
公開日2009-03-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Insight Into the Heme-Based Redox Sensing by Doss from Mycobacterium Tuberculosis.
J.Biol.Chem., 284, 2009
1YLJ
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BU of 1ylj by Molmil
Atomic resolution structure of CTX-M-9 beta-lactamase
分子名称: SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase CTX-M-9a
著者Chen, Y, Delmas, J, Sirot, J, Shoichet, B, Bonnet, R.
登録日2005-01-19
公開日2005-04-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability.
J.Mol.Biol., 348, 2005
2N4L
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BU of 2n4l by Molmil
Solution Structure of the HIV-1 Intron Splicing Silencer and its Interactions with the UP1 Domain of hnRNP A1
分子名称: RNA (53-MER)
著者Tolbert, B.S, Jain, N, Morgan, C.E, Rife, B.D, Salemi, M.
登録日2015-06-23
公開日2015-12-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Structure of the HIV-1 Intron Splicing Silencer and Its Interactions with the UP1 Domain of Heterogeneous Nuclear Ribonucleoprotein (hnRNP) A1.
J.Biol.Chem., 291, 2016
3R37
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BU of 3r37 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73Q complexed with 4-hydroxyphenacyl CoA
分子名称: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
著者Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
登録日2011-03-15
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
1YLP
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BU of 1ylp by Molmil
Atomic resolution structure of CTX-M-27 beta-lactamase
分子名称: SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, beta-lactamase CTX-M-27
著者Chen, Y, Delmas, J, Sirot, J, Shoichet, B, Bonnet, R.
登録日2005-01-19
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability.
J.Mol.Biol., 348, 2005
4E4L
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BU of 4e4l by Molmil
JAK1 kinase (JH1 domain) in complex with compound 30
分子名称: 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1
著者Eigenbrot, C.
登録日2012-03-13
公開日2012-05-30
最終更新日2012-07-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012
7EXK
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BU of 7exk by Molmil
An AA9 LPMO of Ceriporiopsis subvermispora
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nguyen, H, Kondo, K, Nagata, T, Katahira, M, Mikami, B.
登録日2021-05-27
公開日2022-05-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Functional and Structural Characterizations of Lytic Polysaccharide Monooxygenase, Which Cooperates Synergistically with Cellulases, from Ceriporiopsis subvermispora.
Acs Sustain Chem Eng, 10, 2022
1ZT7
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BU of 1zt7 by Molmil
crystal structure of class I MHC H-2Kk in complex with a nonapeptide
分子名称: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-K alpha chain, ...
著者Kellenberger, C, Roussel, A, Malissen, B.
登録日2005-05-26
公開日2005-10-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The H-2Kk MHC peptide-binding groove anchors the backbone of an octameric antigenic peptide in an unprecedented mode.
J Immunol., 175, 2005
2WLE
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BU of 2wle by Molmil
Crystallographic analysis of the polysialic acid O-acetyltransferase OatWY
分子名称: 1,2-ETHANEDIOL, ACETATE ION, COENZYME A, ...
著者Lee, H.J, Rakic, B, Gilbert, M, Wakarchuk, W.W, Withers, S.G, Strynadka, N.C.J.
登録日2009-06-23
公開日2009-06-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural and Kinetic Characterizations of the Polysialic Acid O-Acetyltransferase Oatwy from Neisseria Meningitidis.
J.Biol.Chem., 284, 2009
3R3D
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BU of 3r3d by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77S complexed with 4-hydroxyphenacyl CoA
分子名称: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
著者Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
登録日2011-03-15
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
5SZO
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BU of 5szo by Molmil
Protocadherin Gamma B7 extracellular cadherin domains 1-4 P41212 crystal form
分子名称: CALCIUM ION, Protocadherin Gamma B7, alpha-D-mannopyranose, ...
著者Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L.
登録日2016-08-14
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.612 Å)
主引用文献gamma-Protocadherin structural diversity and functional implications.
Elife, 5, 2016
5IWI
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BU of 5iwi by Molmil
1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA
分子名称: (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), ...
著者Bax, B.D, Miles, T.J.
登録日2016-03-22
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Bioorg.Med.Chem.Lett., 26, 2016
1YOM
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BU of 1yom by Molmil
Crystal structure of Src kinase domain in complex with Purvalanol A
分子名称: 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, Proto-oncogene tyrosine-protein kinase Src
著者Breitenlechner, C.B, Kairies, N.A, Honold, K, Scheiblich, S, Koll, H, Greiter, E, Koch, S, Schaefer, W, Huber, R, Engh, R.A.
登録日2005-01-27
公開日2006-01-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of active SRC kinase domain complexes
J.Mol.Biol., 353, 2005
8T4L
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BU of 8t4l by Molmil
MD65 N332-GT5 SOSIP in complex with RM_N332_07 Fab and RM20A3 Fab
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, MD65 N332-GT5 SOSIP gp120, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2023-06-09
公開日2024-05-08
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Vaccine priming of rare HIV broadly neutralizing antibody precursors in nonhuman primates.
Science, 384, 2024
3R3F
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BU of 3r3f by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77A complexed with 4-hydroxyphenacyl CoA
分子名称: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
著者Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
登録日2011-03-15
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R3B
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BU of 3r3b by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant Q58A complexed with 4-hydroxyphenacyl CoA
分子名称: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
著者Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
登録日2011-03-15
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
5C9K
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BU of 5c9k by Molmil
Crystal structure of a highly fibrillogenic Arg24Gly mutant of the Recombinant variable domain 6AJL2
分子名称: ACETATE ION, Amyloid lambda 6 light chain variable region PIP
著者Hernandez-Santoyo, A, Rodriguez-Romero, A, Luna-Martinez, O.D, Becerril-Lujan, B.
登録日2015-06-27
公開日2015-08-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Mutating amyloidogenic lambda6 light chain AR back to germline 6aJL2
To Be Published
5T7R
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BU of 5t7r by Molmil
A6-A11 trans-dicarba human insulin
分子名称: Insulin A chain, Insulin B chain
著者Menting, J.G, Lawrence, M.C, Robinson, A.J, Forbes, B.E.
登録日2016-09-05
公開日2017-12-06
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Insulin in motion: The A6-A11 disulfide bond allosterically modulates structural transitions required for insulin activity.
Sci Rep, 7, 2017
2W3E
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BU of 2w3e by Molmil
Oxidized structure of the first GAF domain of Mycobacterium tuberculosis DosS
分子名称: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, TWO COMPONENT SENSOR HISTIDINE KINASE DEVS (GAF FAMILY PROTEIN)
著者Kang, B.S, Cho, H.Y, Cho, H.J.
登録日2008-11-12
公開日2009-03-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insight Into the Heme-Based Redox Sensing by Doss from Mycobacterium Tuberculosis.
J.Biol.Chem., 284, 2009
2W3D
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BU of 2w3d by Molmil
Structure of the first GAF domain of Mycobacterium tuberculosis DosS
分子名称: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, TWO COMPONENT SENSOR HISTIDINE KINASE DEVS (GAF FAMILY PROTEIN)
著者Kang, B.S, Cho, H.Y, Cho, H.J.
登録日2008-11-12
公開日2009-03-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insight Into the Heme-Based Redox Sensing by Doss from Mycobacterium Tuberculosis.
J.Biol.Chem., 284, 2009
6HTS
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BU of 6hts by Molmil
Cryo-EM structure of the human INO80 complex bound to nucleosome
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ...
著者Ayala, R, Willhoft, O, Aramayo, R.J, Wilkinson, M, McCormack, E.A, Ocloo, L, Wigley, D.B, Zhang, X.
登録日2018-10-04
公開日2018-11-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structure and regulation of the human INO80-nucleosome complex.
Nature, 556, 2018
4E4M
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BU of 4e4m by Molmil
JAK2 kinase (JH1 domain) in complex with compound 30
分子名称: 1-[4-methyl-1-(methylsulfonyl)piperidin-4-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Eigenbrot, C.
登録日2012-03-13
公開日2012-05-30
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors.
J.Med.Chem., 55, 2012

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