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9JWJ
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BU of 9jwj by Molmil
Structure of Human HDAC2 in complex with inhibitor N-(2-amino-5-(furan-2-yl)phenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamid
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Tojo, T, Itoh, Y, Kurohara, T, Li, Y, Singh, R, Narozny, R, Wiel, A, Miyake, Y, Yamashita, Y, Kusakabe, K, Uchida, S, Suzuki, T.
登録日2024-10-10
公開日2025-10-15
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Discovery of an HDAC2-selective inhibitor based on enzyme-inhibitor binding thermodynamics and kinetics, and its potential as a therapeutic drug for neurological disorders
To Be Published
7SD3
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BU of 7sd3 by Molmil
Cytoplasmic tail deleted HIV-1 Env bound with three 4E10 Fabs
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, 4E10 Fab heavy chain, ...
著者Yang, S, Walz, T.
登録日2021-09-29
公開日2022-11-09
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Dynamic HIV-1 spike motion creates vulnerability for its membrane-bound tripod to antibody attack.
Nat Commun, 13, 2022
2M8S
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BU of 2m8s by Molmil
NMR Structure of the Cytoplasmic Tail of the Membrane Form of Heparin-binding EGF-like Growth Factor (proHB-EGF-CT) Complexed with the Ubiquitin Homology Domain of Bcl-2-associated Athanogene 1 from Mus musculus (mBAG-1-UBH)
分子名称: BAG family molecular chaperone regulator 1, Proheparin-binding EGF-like growth factor
著者Huang, H.W, Yu, C.
登録日2013-06-03
公開日2014-04-16
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Nuclear Magnetic Resonance Structure of the Cytoplasmic Tail of Heparin Binding EGF-like Growth Factor (proHB-EGF-CT) Complexed with the Ubiquitin Homology Domain of Bcl-2-Associated Athanogene 1 from Mus musculus (mBAG-1-UBH).
Biochemistry, 53, 2014
4XCZ
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BU of 4xcz by Molmil
X-ray structure of the N-formyltransferase QdtF from Providencia alcalifaciens in complex with TDP-Qui3n and N5-THF
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid, ...
著者Thoden, J.B, Woodford, C.R, Holden, H.M.
登録日2014-12-18
公開日2015-01-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献New Role for the Ankyrin Repeat Revealed by a Study of the N-Formyltransferase from Providencia alcalifaciens.
Biochemistry, 54, 2015
4XBN
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BU of 4xbn by Molmil
Crystal Structure of Human Galectin-3 CRD in Complex with Type 1 N-acetyllactosamine
分子名称: Galectin-3, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Hsieh, T.J, Lin, H.Y, Lin, C.H.
登録日2014-12-17
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.208 Å)
主引用文献Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
4XBQ
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BU of 4xbq by Molmil
Crystal Structure of Human Galectin-7 in Complex with Type 1 N-acetyllactosamine
分子名称: Galectin-7, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Hsieh, T.J, Lin, H.Y, Lin, C.H.
登録日2014-12-17
公開日2015-05-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.234 Å)
主引用文献Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
6JEO
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BU of 6jeo by Molmil
Structure of PSI tetramer from Anabaena
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Kato, K, Nagao, R, Shen, J.R, Miyazaki, N, Akita, F.
登録日2019-02-06
公開日2019-11-13
最終更新日2025-09-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of a cyanobacterial photosystem I tetramer revealed by cryo-electron microscopy.
Nat Commun, 10, 2019
4XST
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BU of 4xst by Molmil
Structure of the endoglycosidase-H treated L1-CR domains of the human insulin receptor in complex with residues 697-719 of the human insulin receptor (A-isoform)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor, SULFATE ION, ...
著者Menting, J.G, Lawrence, C.F, Kong, G.K.-W, Lawrence, M.C.
登録日2015-01-22
公開日2015-06-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Congruency of Ligand Binding to the Insulin and Insulin/Type 1 Insulin-like Growth Factor Hybrid Receptors.
Structure, 23, 2015
6JOU
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BU of 6jou by Molmil
Crystal structure of the human nucleosome containing H2A.Z.1 S42R
分子名称: DNA (146-MER), Histone H2A.Z, Histone H2B type 1-J, ...
著者Horikoshi, N, Sato, K, Mizukami, Y, Kurumizaka, H.
登録日2019-03-23
公開日2020-03-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure-based design of an H2A.Z.1 mutant stabilizing a nucleosome in vitro and in vivo.
Biochem.Biophys.Res.Commun., 515, 2019
7TBF
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BU of 7tbf by Molmil
Locally refined region of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-61.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ...
著者Zhou, T, Tsybovsky, T, Kwong, P.D.
登録日2021-12-21
公開日2022-03-30
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TCA
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BU of 7tca by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibody A19-46.1
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, Heavy chain of antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
4XUQ
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BU of 4xuq by Molmil
Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C in complex with xylotriose
分子名称: CALCIUM ION, Endo-1,4-beta-xylanase C, beta-D-xylopyranose, ...
著者Sainz-Polo, M.A, Sanz-Aparicio, J.
登録日2015-01-26
公開日2015-06-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM.
J.Biol.Chem., 290, 2015
2MJH
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BU of 2mjh by Molmil
Solution structure of the GLD-1 RNA-binding domain in complex with RNA
分子名称: 5'-CUACUCAUAU-3', Female germline-specific tumor suppressor gld-1
著者Daubner, G.M, Allain, F.H.-T.
登録日2014-01-09
公開日2014-05-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and functional implications of the QUA2 domain on RNA recognition by GLD-1.
Nucleic Acids Res., 42, 2014
9JNG
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BU of 9jng by Molmil
Crystal Structure of SME-1 E166A mutant with Tebipenem
分子名称: (2S,3R,4S)-4-{[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Dhankhar, K, Hazra, S.
登録日2024-09-23
公開日2025-10-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal Structure of SME-1 E166A mutant with Tebipenem
To Be Published
9K0G
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BU of 9k0g by Molmil
Structure of Human HDAC2 in complex with inhibitor N-(2-aminophenyl)-4-(1-((phenylsulfonyl)methyl)-1H-1,2,3-triazol-4-yl)benzamide
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Tojo, T, Itoh, Y, Kurohara, T, Li, Y, Singh, R, Narozny, R, Wiel, A, Miyake, Y, Yamashita, Y, Kusakabe, K, Uchida, S, Suzuki, T.
登録日2024-10-15
公開日2025-10-15
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery of an HDAC2-selective inhibitor based on enzyme-inhibitor binding thermodynamics and kinetics, and its potential as a therapeutic drug for neurological disorders
To Be Published
4Y87
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BU of 4y87 by Molmil
Crystal structure of phosphodiesterase 9 in complex with (R)-C33 (6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one)
分子名称: 6-{[(1R)-1-(4-chlorophenyl)ethyl]amino}-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Huang, M.
登録日2015-02-16
公開日2015-09-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Asymmetry of Phosphodiesterase-9A and a Unique Pocket for Selective Binding of a Potent Enantiomeric Inhibitor.
Mol.Pharmacol., 88, 2015
4XBL
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BU of 4xbl by Molmil
Crystal Structure of Human Galectin-1 in Complex with Type 1 N-acetyllactosamine
分子名称: Galectin-1, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Hsieh, T.J, Lin, H.Y, Lin, C.H.
登録日2014-12-17
公開日2015-05-20
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.931 Å)
主引用文献Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
6JK8
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BU of 6jk8 by Molmil
Cryo-EM structure of the full-length human IGF-1R in complex with insulin
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, Insulin, ...
著者Zhang, X, Yu, D, Wang, T.
登録日2019-02-27
公開日2020-03-04
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (5 Å)
主引用文献Visualization of Ligand-Bound Ectodomain Assembly in the Full-Length Human IGF-1 Receptor by Cryo-EM Single-Particle Analysis.
Structure, 28, 2020
9L04
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BU of 9l04 by Molmil
Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK783
分子名称: 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine, Activin receptor type-1, SULFATE ION
著者Sakai, N, Mishima-Tsumagari, C, Shirouzu, M.
登録日2024-12-11
公開日2025-06-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A new BMP type 1 receptor kinase inhibitor for safe and efficient oral treatment to prevent genetically induced heterotopic ossification in mice.
Bone, 2025
4XRO
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BU of 4xro by Molmil
Disulfide stabilized HIV-1 CA hexamer 4mut (S41A, Q67H, V165I, L172I)
分子名称: Capsid protein p24
著者Price, A.J, James, L.C.
登録日2015-01-21
公開日2015-07-15
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献HIV-1 Resistance to the Capsid-Targeting Inhibitor PF74 Results in Altered Dependence on Host Factors Required for Virus Nuclear Entry.
J.Virol., 89, 2015
7TB8
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BU of 7tb8 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with antibodies B1-182.1 and A19-61.1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhou, T, Tsybovsky, T, Kwong, P.D.
登録日2021-12-21
公開日2022-03-30
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.83 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7TCC
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BU of 7tcc by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike in complex with antibodies A19-46.1 and B1-182.1
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, Heavy chain of antibody A19-46.1, ...
著者Zhou, T, Kwong, P.D.
登録日2021-12-23
公開日2022-03-30
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
9JU0
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BU of 9ju0 by Molmil
C-terminally truncated dextran dextrinase bound with acarbose
分子名称: 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, CITRIC ACID, ...
著者Tagami, T, Matsugaki, N, Saburi, W, Okuyama, M, Mori, H.
登録日2024-10-07
公開日2025-09-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of transglucosylation in dextran dextrinase, a homolog of anomer-inverting GH15 glucoside hydrolases.
J.Biol.Chem., 301, 2025
4XWM
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BU of 4xwm by Molmil
Complex structure of catalytic domain of Clostridium Cellulovorans Exgs and Cellobiose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Exoglucanase S, ...
著者Liaw, Y.-C.
登録日2015-01-29
公開日2015-10-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献Structures of exoglucanase from Clostridium cellulovorans: cellotetraose binding and cleavage
Acta Crystallogr.,Sect.F, 71, 2015
8GPJ
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BU of 8gpj by Molmil
HIV-1 Env X16 UFO in complex with 8ANC195 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, 8ANC195 Fab heavy chain, ...
著者Niu, J, Xu, Y.W, Yang, B.
登録日2022-08-26
公開日2023-08-09
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures and immune recognition of Env trimers from two Asia prevalent HIV-1 CRFs.
Nat Commun, 14, 2023

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