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7D30
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BU of 7d30 by Molmil
Structure of sybody MR17-SR31 fusion in complex with the SARS-CoV-2 S Receptor Binding domain (RBD)
分子名称: 1,3-BUTANEDIOL, ACETATE ION, CADMIUM ION, ...
著者Li, T, Yao, H, Cai, H, Qin, W, Li, D.
登録日2020-09-17
公開日2021-02-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A high-affinity RBD-targeting nanobody improves fusion partner's potency against SARS-CoV-2.
Plos Pathog., 17, 2021
1I8F
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BU of 1i8f by Molmil
THE CRYSTAL STRUCTURE OF A HEPTAMERIC ARCHAEAL SM PROTEIN: IMPLICATIONS FOR THE EUKARYOTIC SNRNP CORE
分子名称: GLYCEROL, PUTATIVE SNRNP SM-LIKE PROTEIN
著者Mura, C, Cascio, D, Sawaya, M.R, Eisenberg, D.
登録日2001-03-14
公開日2001-05-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The crystal structure of a heptameric archaeal Sm protein: Implications for the eukaryotic snRNP core.
Proc.Natl.Acad.Sci.USA, 98, 2001
8EX9
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BU of 8ex9 by Molmil
ISDra2 TnpB in complex with reRNA and cognate DNA, conformation 2 (RuvC domain unresolved)
分子名称: DNA (43-MER), RNA (150-MER), RNA-guided DNA endonuclease TnpB
著者Sasnauskas, G, Tamulaitiene, G, Carabias, A, Karvelis, T, Druteika, G, Silanskas, A, Montoya, G, Venclovas, C, Kazlauskas, D, Siksnys, V.
登録日2022-10-25
公開日2023-04-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献TnpB structure reveals minimal functional core of Cas12 nuclease family.
Nature, 616, 2023
2V7W
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BU of 2v7w by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase s158g mutant complexed with 5'-fluorodeoxyadenosin
分子名称: 5'-FLUORO-5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE
著者Zhu, X, O'Hagan, D, Naismith, J.H.
登録日2007-08-02
公開日2008-08-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of enzymatic fluorination in Streptomyces cattleya.
J. Am. Chem. Soc., 129, 2007
2V7V
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BU of 2v7v by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from streptomyces cattleya complexed with 5'-fluorodeoxyadenosine
分子名称: 5'-FLUORO-5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE
著者Zhu, X, O'Hagan, D, Naismith, J.H.
登録日2007-08-02
公開日2008-08-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanism of enzymatic fluorination in Streptomyces cattleya.
J. Am. Chem. Soc., 129, 2007
8EXA
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BU of 8exa by Molmil
ISDra2 TnpB in complex with reRNA and cognate DNA, conformation 1 (RuvC domain resolved)
分子名称: DNA (43-MER), RNA (150-MER), RNA-guided DNA endonuclease TnpB
著者Sasnauskas, G, Tamulaitiene, G, Carabias, A, Karvelis, T, Druteika, G, Silanskas, A, Montoya, G, Venclovas, C, Kazlauskas, D, Siksnys, V.
登録日2022-10-25
公開日2023-04-05
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献TnpB structure reveals minimal functional core of Cas12 nuclease family.
Nature, 616, 2023
6SC5
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BU of 6sc5 by Molmil
dAb3/HOIP-RBR-Ligand2
分子名称: CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ...
著者Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K.
登録日2019-07-23
公開日2019-11-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
6F18
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BU of 6f18 by Molmil
Structure of Mb NMH H64V, V68A mutant complex with EDA
分子名称: ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2017-11-21
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
1FNJ
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BU of 1fnj by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88S/R90K
分子名称: PROTEIN (CHORISMATE MUTASE)
著者Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D.
登録日2000-08-22
公開日2000-10-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A strategically positioned cation is crucial for efficient catalysis by chorismate mutase.
J.Biol.Chem., 275, 2000
7F5H
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BU of 7f5h by Molmil
The crystal structure of RBD-Nanobody complex, DL28 (SC4)
分子名称: GLYCEROL, Nanobody DL28, PHOSPHATE ION, ...
著者Luo, Z.P, Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Characterization of a Neutralizing Nanobody With Broad Activity Against SARS-CoV-2 Variants.
Front Microbiol, 13, 2022
3IDW
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BU of 3idw by Molmil
Crystal structure of Sla1 homology domain 2
分子名称: Actin cytoskeleton-regulatory complex protein SLA1
著者Di Pietro, S.M, Cascio, D, Bowie, J.U, Payne, G.S.
登録日2009-07-21
公開日2010-02-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Regulation of clathrin adaptor function in endocytosis: novel role for the SAM domain.
Embo J., 29, 2010
2VWY
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BU of 2vwy by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G.
登録日2008-06-30
公開日2008-10-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
2VTM
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BU of 2vtm by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VU3
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BU of 2vu3 by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-20
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
8EMA
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BU of 8ema by Molmil
mouse full length B cell receptor
分子名称: Anti-human Langerin 2G3 lambda chain, B-cell antigen receptor complex-associated protein alpha chain, B-cell antigen receptor complex-associated protein beta chain, ...
著者Ying, D, Xiong, P, Michael, R.
登録日2022-09-27
公開日2022-11-16
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (8.2 Å)
主引用文献Structural principles of B cell antigen receptor assembly.
Nature, 612, 2022
6EHO
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BU of 6eho by Molmil
Dimer of the Sortilin Vps10p domain at low pH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Thirup, S.S, Quistgaard, E.H, Januliene, D, Andersen, J.L, Nielsen, J.A.
登録日2017-09-14
公開日2017-12-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Acidic Environment Induces Dimerization and Ligand Binding Site Collapse in the Vps10p Domain of Sortilin.
Structure, 25, 2017
5NM2
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BU of 5nm2 by Molmil
A2A Adenosine receptor cryo structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Weinert, T, Cheng, R, James, D, Gashi, D, Nogly, P, Jaeger, K, Dore, A.S, Geng, T, Cooke, R, Hennig, M, Standfuss, J.
登録日2017-04-05
公開日2017-09-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5XSG
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BU of 5xsg by Molmil
Ultrahigh resolution structure of FUS (37-42) SYSGYS determined by MicroED
分子名称: RNA-binding protein FUS
著者Luo, F, Gui, X, Zhou, H, Li, D, Li, X, Liu, C.
登録日2017-06-14
公開日2018-04-04
最終更新日2024-03-27
実験手法ELECTRON CRYSTALLOGRAPHY (0.73 Å)
主引用文献Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation.
Nat. Struct. Mol. Biol., 25, 2018
6TIH
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BU of 6tih by Molmil
Structure of A. niger Fdc WT in complex with benzothiophene 2 carboxylic acid
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
著者Leys, D.
登録日2019-11-22
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.021 Å)
主引用文献Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
1FDT
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BU of 1fdt by Molmil
HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 COMPLEXED WITH ESTRADIOL AND NADP+
分子名称: 17-BETA-HYDROXYSTEROID-DEHYDROGENASE, ESTRADIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Housset, D, Breton, R, Mazza, C, Fontecilla-Camps, J.-C.
登録日1996-06-28
公開日1997-02-12
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The structure of a complex of human 17beta-hydroxysteroid dehydrogenase with estradiol and NADP+ identifies two principal targets for the design of inhibitors.
Structure, 4, 1996
3FXU
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BU of 3fxu by Molmil
Crystal structure of TsaR in complex with its effector p-toluenesulfonate
分子名称: CHLORIDE ION, FORMIC ACID, GLYCEROL, ...
著者Monferrer, D, Tralau, T, Kertesz, M.A, Kikhney, A, Svergun, D, Uson, I.
登録日2009-01-21
公開日2010-01-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural studies on the full-length LysR-type regulator TsaR from Comamonas testosteroni T-2 reveal a novel open conformation of the tetrameric LTTR fold
Mol.Microbiol., 75, 2010
5GVX
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BU of 5gvx by Molmil
Structural insight into dephosphorylation by Trehalose 6-phosphate Phosphatase (OtsB2) from Mycobacterium Tuberculosis
分子名称: MAGNESIUM ION, Trehalose-phosphate phosphatase
著者Shan, S, Min, H, Liu, T, Jiang, D, Rao, Z.
登録日2016-09-07
公開日2017-09-27
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Structural insight into dephosphorylation by trehalose 6-phosphate phosphatase (OtsB2) from Mycobacterium tuberculosis.
FASEB J., 30, 2016
6EIE
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BU of 6eie by Molmil
Ras guanine nucleotide exchange factor SOS2 (Rem-cdc25), with surface mutations
分子名称: Son of sevenless homolog 2
著者Hillig, R.C, Moosmayer, D, Mastouri, J.
登録日2017-09-19
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6TM6
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BU of 6tm6 by Molmil
MUC2 CysD1 domain
分子名称: CALCIUM ION, Mucin-2
著者Khmelnitsky, L, Fass, D.
登録日2019-12-03
公開日2020-02-19
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Assembly Mechanism of Mucin and von Willebrand Factor Polymers.
Cell, 183, 2020
2VWT
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BU of 2vwt by Molmil
Crystal structure of YfaU, a metal ion dependent class II aldolase from Escherichia coli K12 - Mg-pyruvate product complex
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ...
著者Rea, D, Rakus, J.F, Gerlt, J.A, Fulop, V, Bugg, T.D.H, Roper, D.I.
登録日2008-06-26
公開日2008-09-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal Structure and Functional Assignment of Yfau, a Metal Ion Dependent Class II Aldolase from Escherichia Coli K12.
Biochemistry, 47, 2008

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