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4X6Q
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BU of 4x6q by Molmil
An Isoform-specific Myristylation Switch Targets RIIb PKA Holoenzymes to Membranes
分子名称: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type II-beta regulatory subunit
著者Zhang, P, Ye, F, Bastidas, A.C, Kornev, A.P, Ginsberg, M.H, Taylor, S.S.
登録日2014-12-08
公開日2015-07-22
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献An Isoform-Specific Myristylation Switch Targets Type II PKA Holoenzymes to Membranes.
Structure, 23, 2015
6I2U
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BU of 6i2u by Molmil
Aurora-A kinase domain in complex with Coenzyme A
分子名称: Aurora kinase A, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
著者Burgess, S.G, Bayliss, R.
登録日2018-11-02
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Covalent Aurora A regulation by the metabolic integrator coenzyme A.
Redox Biol, 28, 2019
4X22
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BU of 4x22 by Molmil
Crystal structure of Leptospira Interrogans Triosephosphate Isomerase (LiTIM)
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Triosephosphate isomerase
著者Pareek, V, Balaram, P, Murthy, M.R.N.
登録日2014-11-25
公開日2016-02-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.084 Å)
主引用文献Connecting Active-Site Loop Conformations and Catalysis in Triosephosphate Isomerase: Insights from a Rare Variation at Residue 96 in the Plasmodial Enzyme
Chembiochem, 17, 2016
6I5N
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BU of 6i5n by Molmil
Crystal structure of SOCS2:Elongin C:Elongin B in complex with growth hormone receptor peptide
分子名称: COBALT (II) ION, Elongin-B, Elongin-C, ...
著者Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A.
登録日2018-11-14
公開日2019-05-29
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase.
Nat Commun, 10, 2019
8HMM
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BU of 8hmm by Molmil
Crystal structure of AoRhaA
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bac_rhamnosid6H domain-containing protein
著者Makabe, K, Koseki, T.
登録日2022-12-05
公開日2023-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Aspergillus oryzae alpha-l-rhamnosidase: Crystal structure and insight into the substrate specificity.
Proteins, 92, 2024
6S6H
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BU of 6s6h by Molmil
Crystal structure of the DNA binding domain of the chromosome-partitioning protein ParB complexed to the centromeric parS site
分子名称: Chromosome-partitioning protein ParB, DNA (5'-D(*GP*AP*TP*GP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*CP*AP*TP*C)-3'), GLYCEROL
著者Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Tan, E.X, Lawson, D.M, Le, T.B.K.
登録日2019-07-03
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family.
Cell Rep, 32, 2020
6R49
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BU of 6r49 by Molmil
Aurora-A in complex with shape-diverse fragment 39
分子名称: (1~{S},10~{S})-12-cyclopropyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者Bayliss, R, McIntyre, P.J.
登録日2019-03-22
公開日2019-05-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase.
Chemistry, 25, 2019
8G0F
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BU of 8g0f by Molmil
Crystal structure of diphtheria toxin H223Q/H257Q double mutant (pH 5.5)
分子名称: Diphtheria toxin
著者Lovell, S, Kashipathy, M.M, Battaile, K.P, Ladokhin, A.S.
登録日2023-01-31
公開日2023-07-05
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Histidine Protonation and Conformational Switching in Diphtheria Toxin Translocation Domain.
Toxins, 15, 2023
4WNC
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BU of 4wnc by Molmil
Crystal structure of human wild-type GAPDH at 1.99 angstroms resolution
分子名称: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Garcin, E.D.
登録日2014-10-11
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A Dimer Interface Mutation in Glyceraldehyde-3-Phosphate Dehydrogenase Regulates Its Binding to AU-rich RNA.
J.Biol.Chem., 290, 2015
6I4X
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BU of 6i4x by Molmil
Crystal structure of SOCS2:Elongin C:Elongin B in complex with erythropoietin receptor peptide
分子名称: DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ...
著者Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A.
登録日2018-11-12
公開日2019-05-29
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase.
Nat Commun, 10, 2019
8HOG
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BU of 8hog by Molmil
Crystal structure of Bcl-2 in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOH
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BU of 8hoh by Molmil
Crystal structure of Bcl-2 G101V in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOI
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BU of 8hoi by Molmil
Crystal structure of Bcl-2 D103Y in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
4WNV
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BU of 4wnv by Molmil
Human Cytochrome P450 2D6 Quinine Complex
分子名称: Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Wang, A, Stout, C.D, Johnson, E.F.
登録日2014-10-14
公開日2015-01-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
6PSK
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BU of 6psk by Molmil
Crystal structure of the complex between periplasmic domains of antiholin RI and holin T from T4 phage, in P6522
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Antiholin, ...
著者Kuznetsov, V.B, Krieger, I.V, Sacchettini, J.C.
登録日2019-07-12
公開日2020-06-24
最終更新日2020-08-12
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Structural Basis of T4 Phage Lysis Control: DNA as the Signal for Lysis Inhibition.
J.Mol.Biol., 432, 2020
6GUE
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BU of 6gue by Molmil
CDK2/CyclinA in complex with AZD5438
分子名称: 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
8GNG
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BU of 8gng by Molmil
Crystal structure of human adenosine A2A receptor in complex with istradefylline.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a, ...
著者Suzuki, M, Saito, J, Miyagi, H, Yasunaga, M.
登録日2022-08-23
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献In Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist.
Mol.Pharmacol., 103, 2023
8GNE
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BU of 8gne by Molmil
Crystal structure of human adenosine A2A receptor in complex with an insurmountable inverse agonist, KW-6356.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Adenosine receptor A2a,Soluble cytochrome b562, ...
著者Suzuki, M, Saito, J, Miyagi, H, Yasunaga, M.
登録日2022-08-23
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献In Vitro Pharmacological Profile of KW-6356, a Novel Adenosine A 2A Receptor Antagonist/Inverse Agonist.
Mol.Pharmacol., 103, 2023
8GTK
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BU of 8gtk by Molmil
Crystal structure of IpaH7.8-LRR and GSDMB isoform-1 complex
分子名称: GSDMB isoform-1, Probable E3 ubiquitin-protein ligase ipaH7.8
著者Zhong, X, Hou, Y.J, Ding, J.
登録日2022-09-08
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural mechanisms for regulation of GSDMB pore-forming activity.
Nature, 616, 2023
2WNO
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BU of 2wno by Molmil
X-ray Structure of CUB_C domain from TSG-6
分子名称: CALCIUM ION, COBALT (II) ION, TUMOR NECROSIS FACTOR-INDUCIBLE GENE 6 PROTEIN
著者Briggs, D.C, Day, A.J.
登録日2009-07-13
公開日2010-09-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Metal Ion-Dependent Heavy Chain Transfer Activity of Tsg-6 Mediates Assembly of the Cumulus-Oocyte Matrix.
J.Biol.Chem., 290, 2015
8H1E
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BU of 8h1e by Molmil
Aquifex aeolicus MutL endonuclease domain complexed with manganese ions
分子名称: DI(HYDROXYETHYL)ETHER, DNA mismatch repair protein MutL, MANGANESE (II) ION
著者Fukui, K, Yano, T.
登録日2022-10-03
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Catalytic mechanism of the zinc-dependent MutL endonuclease reaction.
Life Sci Alliance, 6, 2023
5AZ2
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BU of 5az2 by Molmil
Crystal structure of the Fab fragment of 9E5, a murine monoclonal antibody specific for human epiregulin
分子名称: anti-human epiregulin antibody 9E5 Fab heavy chain, anti-human epiregulin antibody 9E5 Fab light chain
著者Kado, Y, Mizohata, E, Nagatoishi, S, Iijima, M, Shinoda, K, Miyafusa, T, Nakayama, T, Yoshizumi, T, Sugiyama, A, Kawamura, T, Lee, Y.H, Matsumura, H, Doi, H, Fujitani, H, Kodama, T, Shibasaki, Y, Tsumoto, K, Inoue, T.
登録日2015-09-16
公開日2015-12-09
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Epiregulin Recognition Mechanisms by Anti-epiregulin Antibody 9E5: STRUCTURAL, FUNCTIONAL, AND MOLECULAR DYNAMICS SIMULATION ANALYSES
J.Biol.Chem., 291, 2016
5B2F
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N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii complexed with its inhibitor MPG (phosphate-containing condition)
分子名称: 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucopyranose, Putative uncharacterized protein PH0499, ZINC ION
著者Nakamura, T, Niiyama, M, Ida, K, Uegaki, K.
登録日2016-01-15
公開日2016-08-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate recognition of N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii
J.Struct.Biol., 195, 2016
6RHV
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BU of 6rhv by Molmil
Crystal structure of mouse CD11b I-domain (CD11b-I) in complex with Staphylococcus aureus octameric bi-component leukocidin LukGH (LukH K319A mutant)
分子名称: Beta-channel forming cytolysin, DIMETHYL SULFOXIDE, Integrin alpha-M, ...
著者Trstenjak, N, Milic, D, Djinovic-Carugo, K, Badarau, A.
登録日2019-04-23
公開日2019-12-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Molecular mechanism of leukocidin GH-integrin CD11b/CD18 recognition and species specificity.
Proc.Natl.Acad.Sci.USA, 117, 2020
5AYI
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Crystal structure of GH1 Beta-glucosidase TD2F2 N223Q mutant
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, BETA-GLUCOSIDASE, GLYCEROL, ...
著者Jo, T, Manninen, J.A, Matsuzawa, T, Uchiyama, T, Yaoi, K, Arakawa, T, Fushinobu, S.
登録日2015-08-21
公開日2016-04-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure and identification of a key amino acid for glucose tolerance, substrate specificity, and transglycosylation activity of metagenomic beta-glucosidase Td2F2
Febs J., 283, 2016

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