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7Z6J
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BU of 7z6j by Molmil
X-ray structure of the adduct obtained upon reaction of [Rh2(OCOCH3)(OCOCF3)3] with HEWL
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme, Rhodium, ...
著者Loreto, D, Merlino, A.
登録日2022-03-11
公開日2023-03-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins
Dalton Trans, 51, 2022
3KAS
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BU of 3kas by Molmil
Machupo virus GP1 bound to human transferrin receptor 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, ...
著者Abraham, J, Corbett, K.D, Harrison, S.C.
登録日2009-10-19
公開日2010-03-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for receptor recognition by New World hemorrhagic fever arenaviruses.
Nat.Struct.Mol.Biol., 17, 2010
8XJ2
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BU of 8xj2 by Molmil
MAT2A in complex with SAM and allosteric inhibitor SCR-7952
分子名称: 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-1-methyl-imidazo[4,5-c]quinolin-4-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
著者Zhou, F.
登録日2023-12-20
公開日2024-12-25
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献MAT2A in complex with SAM and allosteric inhibitor SCR-7952
To Be Published
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
分子名称: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-08-15
公開日2017-02-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
6HM5
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BU of 6hm5 by Molmil
Crystal structure of TOPBP1 BRCT0,1,2 in complex with a RAD9 phosphopeptide
分子名称: Cell cycle checkpoint control protein RAD9A, DNA topoisomerase II binding protein 1
著者Day, M, Rappas, M, Oliver, A.W, Pearl, L.H.
登録日2018-09-12
公開日2018-10-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.330038 Å)
主引用文献BRCT domains of the DNA damage checkpoint proteins TOPBP1/Rad4 display distinct specificities for phosphopeptide ligands.
Elife, 7, 2018
5JF8
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BU of 5jf8 by Molmil
Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor RAS358 (21)
分子名称: ACETATE ION, IMIDAZOLE, Peptide deformylase, ...
著者Fieulaine, S, Giglione, C, Meinnel, T.
登録日2016-04-19
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6, 2016
5GVE
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BU of 5gve by Molmil
Human TOP3B-TDRD3 complex
分子名称: DNA topoisomerase 3-beta-1, MAGNESIUM ION, Tudor domain-containing protein 3
著者Goto-Ito, S, Yamagata, A, Sato, Y, Takahashi, T.S, Fukai, S.
登録日2016-09-05
公開日2017-06-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.606 Å)
主引用文献Structural basis of the interaction between Topoisomerase III beta and the TDRD3 auxiliary factor
Sci Rep, 7, 2017
7S7A
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BU of 7s7a by Molmil
Crystal structure of CDK2 liganded with compound EF3019
分子名称: 1,2-ETHANEDIOL, 2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2
著者Sun, L, Schonbrunn, E.
登録日2021-09-15
公開日2022-09-28
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.
J.Med.Chem., 66, 2023
3NEG
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BU of 3neg by Molmil
Pyrabactin-bound PYL1 structure in the open and close forms
分子名称: 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1, BROMIDE ION
著者Yan, N.
登録日2010-06-08
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献Functional mechanism of the ABA agonist pyrabactin
J.Biol.Chem., 285, 2010
5GJP
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BU of 5gjp by Molmil
Crystal structure of SrLDC in complex with PLP and Cadaverine
分子名称: GLYCEROL, Lysine/ornithine decarboxylase, MAGNESIUM ION, ...
著者Sagong, H.-Y, Kim, K.-J.
登録日2016-07-01
公開日2016-11-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure and Pyridoxal 5-Phosphate Binding Property of Lysine Decarboxylase from Selenomonas ruminantium
PLoS ONE, 11, 2016
6EUH
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BU of 6euh by Molmil
The GH43, Beta 1,3 Galactosidase, BT3683 with galactodeoxynojirimycin
分子名称: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-glucanase, CALCIUM ION
著者Cartmell, A, Gilbert, H.J.
登録日2017-10-30
公開日2018-10-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
9BLP
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BU of 9blp by Molmil
T450S mutant of repeat domain 2 from Clostridium perfringens adhesin CPE0147 with intramolecular ester bond
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Surface anchored protein
著者Squire, C.J, Yosaatmadja, Y.
登録日2024-05-01
公開日2025-05-07
最終更新日2025-11-19
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Protease mimicry: Dissecting the ester bond crosslinking mechanics in bacterial adhesin proteins.
Protein Sci., 34, 2025
8IA5
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BU of 8ia5 by Molmil
Small peptide enhances the binding of nutline-3a to N-terminal domain of MdmX
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, 9-mer peptide, ...
著者Cheng, X.Y, Wei, Q.Y, Huang, Y, Su, Z.D.
登録日2023-02-07
公開日2023-02-22
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Small peptide enhances the binding of nutline-3a to N-terminal domain of MdmX
To Be Published
9W49
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BU of 9w49 by Molmil
Cryo-EM structure of human kappa opioid receptor -G protein signaling complex bound with U-50488H
分子名称: 2-(3,4-dichlorophenyl)-~{N}-methyl-~{N}-[(1~{R},2~{R})-2-pyrrolidin-1-ylcyclohexyl]ethanamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Suno-Ikeda, C, Takai, T, Hirose, M, Inoue, A, Sugita, Y, Kato, T, Kobayashi, T, Suno, R.
登録日2025-07-31
公開日2025-11-19
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural and dynamic insights into the biased signaling mechanism of the human kappa opioid receptor.
Nat Commun, 16, 2025
4ZKV
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BU of 4zkv by Molmil
Crystal structure of human histidine triad nucleotide-binding protein 1 (hHINT1) refined to 1.92A at P21 space group
分子名称: Histidine triad nucleotide-binding protein 1, SULFATE ION
著者Dolot, R.M, Seda, A, Nawrot, B.
登録日2015-04-30
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystallographic studies of the complex of human HINT1 protein with a non-hydrolyzable analog of Ap4A.
Int.J.Biol.Macromol., 87, 2016
3K8L
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BU of 3k8l by Molmil
Crystal structure of SusG-D498N mutant with maltoheptaose
分子名称: 1,2-ETHANEDIOL, Alpha-amylase, susG, ...
著者Koropatkin, N.M, Smith, T.J.
登録日2009-10-14
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献SusG: A Unique Cell-Membrane-Associated alpha-Amylase from a Prominent Human Gut Symbiont Targets Complex Starch Molecules.
Structure, 18, 2010
7UCH
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BU of 7uch by Molmil
AprA Methyltransferase 1 - GNAT in complex with Mn2+ , SAM, and Di-methyl-malonate
分子名称: AprA Methyltransferase 1, GLYCEROL, MANGANESE (II) ION, ...
著者Skiba, M.A, Lao, Y, Smith, J.L.
登録日2022-03-16
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural Basis for Control of Methylation Extent in Polyketide Synthase Metal-Dependent C -Methyltransferases.
Acs Chem.Biol., 17, 2022
4ZOA
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BU of 4zoa by Molmil
Crystal Structure of beta-glucosidase from Listeria innocua in complex with isofagomine
分子名称: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, DI(HYDROXYETHYL)ETHER, Lin1840 protein, ...
著者Nakajima, M, Yoshida, R, Miyanaga, A, Abe, K, Takahashi, Y, Sugimoto, N, Toyoizumi, H, Nakai, H, Kitaoka, M, Taguchi, H.
登録日2015-05-06
公開日2016-05-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Functional and Structural Analysis of a beta-Glucosidase Involved in beta-1,2-Glucan Metabolism in Listeria innocua
Plos One, 11, 2016
4O5O
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BU of 4o5o by Molmil
X-ray Crystal Structure of a 3-hydroxyacyl-CoA dehydrogenase from Brucella suis
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyacyl-CoA dehydrogenase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-12-19
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray Crystal Structure of a 3-hydroxyacyl-CoA dehydrogenase from Brucella suis
TO BE PUBLISHED
9JBE
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BU of 9jbe by Molmil
Cryo-EM structure of the human LYCHOS in complex with cholesterol and cholesteryl hemisuccinate in the contracted state
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL, ...
著者Yu, S, Liang, L.
登録日2024-08-27
公開日2025-07-16
最終更新日2025-08-27
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Structural insights into cholesterol sensing by the LYCHOS-mTORC1 pathway.
Nat Commun, 16, 2025
4NRU
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BU of 4nru by Molmil
Murine Norovirus RNA-dependent-RNA-polymerase in complex with Compound 6, a suramin derivative
分子名称: 4-({4-methyl-3-[(3-nitrobenzoyl)amino]benzoyl}amino)naphthalene-1,5-disulfonic acid, MAGNESIUM ION, RNA dependent RNA polymerase
著者Milani, M, Croci, R, Pezzullo, M, Tarantino, D, Mastrangelo, E, Bolognesi, M.
登録日2013-11-27
公開日2014-10-15
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds.
Plos One, 9, 2014
7YRY
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BU of 7yry by Molmil
F1-ATPase of Acinetobacter baumannii
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Saw, W.-G, Grueber, G.
登録日2022-08-11
公開日2023-06-21
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Atomic insights of an up and down conformation of the Acinetobacter baumannii F 1 -ATPase subunit epsilon and deciphering the residues critical for ATP hydrolysis inhibition and ATP synthesis.
Faseb J., 37, 2023
8XJF
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BU of 8xjf by Molmil
Crystal structure of Arabidopsis N-amino acetyltransferase 2 bound to HEPES, Acetyl CoA, GABA, and glycerol
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETYL COENZYME *A, GAMMA-AMINO-BUTANOIC ACID, ...
著者Arold, S.T, Hameed, U.F.S.
登録日2023-12-21
公開日2024-12-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of Arabidopsis N-amino acetyltransferase 2 bound to HEPES, Acetyl CoA, GABA, and glycerol
To Be Published
4NYH
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BU of 4nyh by Molmil
Orthorhombic crystal form of pir1 dual specificity phosphatase core
分子名称: CHLORIDE ION, PHOSPHATE ION, RNA/RNP complex-1-interacting phosphatase
著者Sankhala, R.S, Lokareddy, R.K, Cingolani, G.
登録日2013-12-10
公開日2014-01-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of Human PIR1, an Atypical Dual-Specificity Phosphatase.
Biochemistry, 53, 2014
5A71
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BU of 5a71 by Molmil
Open and closed conformations and protonation states of Candida antarctica Lipase B: atomic resolution native
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ISOPROPYL ALCOHOL, LIPASE B, ...
著者Stauch, B, Fisher, S.J, Cianci, M.
登録日2015-07-02
公開日2015-10-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Open and Closed States of Candida Antarctica Lipase B: Protonation and the Mechanism of Interfacial Activation.
J.Lipid Res., 56, 2015

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件を2025-11-19に公開中

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