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7PC4
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The PDZ domain of SNTB1 complexed with the PDZ-binding motif of HTLV1-TAX1
分子名称: 1,2-ETHANEDIOL, Beta-1-syntrophin,Annexin A2, CALCIUM ION, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7OO7
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BU of 7oo7 by Molmil
KRasG12C ligand complex
分子名称: 1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one, CALCIUM ION, GTPase KRas, ...
著者Phillips, C.
登録日2021-05-26
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRAS G12C .
J.Med.Chem., 65, 2022
7PCB
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BU of 7pcb by Molmil
The PDZ domain of SNX27 fused with ANXA2
分子名称: CALCIUM ION, GLYCEROL, Sorting nexin-27,Annexin A2
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC9
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BU of 7pc9 by Molmil
The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1
分子名称: CALCIUM ION, Protein Tax-1, Synaptojanin-2-binding protein,Annexin A2
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC7
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BU of 7pc7 by Molmil
The PDZ domain of SNTG1 complexed with the acetylated PDZ-binding motif of PTEN
分子名称: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC3
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BU of 7pc3 by Molmil
The second PDZ domain of DLG1 complexed with the PDZ-binding motif of HTLV1-TAX1
分子名称: CALCIUM ION, Disks large homolog 1,Annexin A2, GLYCEROL, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
8BET
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BU of 8bet by Molmil
Structure of D188A-fructofuranosidase from Rhodotorula dairenesis in complex with sucrose
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, Beta-fructofuranosidase, ...
著者Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2022-10-21
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Insights into the Structure of the Highly Glycosylated Ffase from Rhodotorula dairenensis Enhance Its Biotechnological Potential.
Int J Mol Sci, 23, 2022
7PB8
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BU of 7pb8 by Molmil
Crystal structure of the CENP-OPQUR complex
分子名称: Centromere protein O, Centromere protein P, Centromere protein Q, ...
著者Bellini, D, Yatskevich, S, Muir, K.W, Barford, D.
登録日2021-07-31
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.68 Å)
主引用文献Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
8BES
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BU of 8bes by Molmil
Structure of D188A-fructofuranosidase from Rhodotorula dairenensis in complex with fructose
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2022-10-21
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Insights into the Structure of the Highly Glycosylated Ffase from Rhodotorula dairenensis Enhance Its Biotechnological Potential.
Int J Mol Sci, 23, 2022
7PB4
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BU of 7pb4 by Molmil
Cenp-HIK 3-protein complex
分子名称: Centromere protein H, Centromere protein I, Centromere protein K
著者Bellini, D, Yatskevich, S, Muir, W.K, Barford, D.
登録日2021-07-30
公開日2022-04-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome.
Science, 376, 2022
7AKK
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BU of 7akk by Molmil
Structure of a complement factor-receptor complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ...
著者Fernandez, F.J, Santos-Lopez, J, Martinez-Barricarte, R, Querol-Garcia, J, Navas-Yuste, S, Savko, M, Shepard, W.E, Rodriguez de Cordoba, S, Vega, M.C.
登録日2020-10-01
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.395 Å)
主引用文献The crystal structure of iC3b-CR3 alpha I reveals a modular recognition of the main opsonin iC3b by the CR3 integrin receptor
Nat Commun, 13, 2022
1AJG
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BU of 1ajg by Molmil
CARBONMONOXY MYOGLOBIN AT 40 K
分子名称: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Teng, T.Y, Srajer, V, Moffat, K.
登録日1997-05-02
公開日1997-11-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Photolysis-induced structural changes in single crystals of carbonmonoxy myoglobin at 40 K.
Nat.Struct.Biol., 1, 1994
6Q6J
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BU of 6q6j by Molmil
Human phosphoserine phosphatase with substrate analogue homo-cysteic acid
分子名称: (2~{S})-2-azanyl-4-sulfo-butanoic acid, CALCIUM ION, CHLORIDE ION, ...
著者Wouters, J, Haufroid, M, Mirgaux, M.
登録日2018-12-11
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.985 Å)
主引用文献Crystal structures and snapshots along the reaction pathway of human phosphoserine phosphatase.
Acta Crystallogr D Struct Biol, 75, 2019
7OOZ
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BU of 7ooz by Molmil
Purine nucleoside phosphorylase(DeoD-type) from H. pylori with 6-benzyloxo-2-chloropurine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-benzyloxo-2-chloropurine, GLYCEROL, ...
著者Narczyk, M, Stefanic, Z.
登録日2021-05-28
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Interactions of 2,6-substituted purines with purine nucleoside phosphorylase from Helicobacter pylori in solution and in the crystal, and the effects of these compounds on cell cultures of this bacterium.
J Enzyme Inhib Med Chem, 37, 2022
8BEQ
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BU of 8beq by Molmil
Structure of fructofuranosidase from Rhodotorula dairenensis
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2022-10-21
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Insights into the Structure of the Highly Glycosylated Ffase from Rhodotorula dairenensis Enhance Its Biotechnological Potential.
Int J Mol Sci, 23, 2022
8BEU
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BU of 8beu by Molmil
Structure of D188A-fructofuranosidase from Rhodotorula dairenensis in complex with raffinose
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, Beta-fructofuranosidase, ...
著者Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2022-10-21
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Insights into the Structure of the Highly Glycosylated Ffase from Rhodotorula dairenensis Enhance Its Biotechnological Potential.
Int J Mol Sci, 23, 2022
7P0K
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BU of 7p0k by Molmil
Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand
分子名称: 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H.
登録日2021-06-29
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands
J Med Chem, 64, 2021
7O2C
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BU of 7o2c by Molmil
X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH the benzodiazepine-based probe BAY-6035
分子名称: (2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Steuber, H.
登録日2021-03-30
公開日2021-07-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
7ODH
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BU of 7odh by Molmil
Crystal structure of the O2-tolerant MBH-P242C from Ralstonia eutropha in its as-isolated state
分子名称: CHLORIDE ION, FE4-S3 CLUSTER, IRON/SULFUR CLUSTER, ...
著者Schmidt, A, Kalms, J, Scheerer, P.
登録日2021-04-29
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Resonance Raman spectroscopic analysis of the iron-sulfur cluster redox chain of the Ralstonia eutropha membrane-bound [NiFe]-hydrogenase
J Raman Spectrosc, 2021
7OC5
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BU of 7oc5 by Molmil
Alpha-humulene synthase AsR6 from Sarocladium schorii
分子名称: Alpha-humulene synthase AsR6, MAGNESIUM ION, ZINC ION
著者Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J.
登録日2021-04-26
公開日2021-07-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
7O2A
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BU of 7o2a by Molmil
X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH benzodiazepine-type inhibitor compound 15
分子名称: (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Steuber, H.
登録日2021-03-30
公開日2021-07-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
7OC6
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BU of 7oc6 by Molmil
Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii
分子名称: Alpha-humulene synthase asR6, GLYCEROL, SULFATE ION, ...
著者Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J.
登録日2021-04-26
公開日2021-07-07
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Understanding and Engineering the Stereoselectivity of Humulene Synthase.
Angew.Chem.Int.Ed.Engl., 60, 2021
7OG7
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BU of 7og7 by Molmil
Crystal structure of the copper chaperone NosL from Shewanella denitrificans
分子名称: ACETONITRILE, COPPER (I) ION, NosL, ...
著者Prasser, B, Schoener, L, Zhang, L, Einsle, O.
登録日2021-05-06
公開日2021-07-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Copper Chaperone NosL Forms a Heterometal Site for Cu Delivery to Nitrous Oxide Reductase.
Angew.Chem.Int.Ed.Engl., 60, 2021
7O2B
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BU of 7o2b by Molmil
X-RAY STRUCTURE OF SMYD3 in complex with benzodiazepine-type inhibitor 6
分子名称: (2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ...
著者Steuber, H.
登録日2021-03-30
公開日2021-07-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening.
Slas Discov, 26, 2021
7ODG
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BU of 7odg by Molmil
Crystal structure of the O2-tolerant MBH-P242C from Ralstonia eutropha in its reduced state
分子名称: CHLORIDE ION, FE4-S3 CLUSTER, IRON/SULFUR CLUSTER, ...
著者Schmidt, A, Kalms, J, Scheerer, P.
登録日2021-04-29
公開日2021-07-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Resonance Raman spectroscopic analysis of the iron-sulfur cluster redox chain of the Ralstonia eutropha membrane-bound [NiFe]-hydrogenase
J Raman Spectrosc, 2021

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件を2024-08-21に公開中

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