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5CVR
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BU of 5cvr by Molmil
Crystal structure of FNR of A. fischeri in a partially degraded form
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FE2/S2 (INORGANIC) CLUSTER, FNR type regulator
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2015-07-27
公開日2015-12-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The crystal structure of the global anaerobic transcriptional regulator FNR explains its extremely fine-tuned monomer-dimer equilibrium.
Sci Adv, 1, 2015
5CW5
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BU of 5cw5 by Molmil
Structure of CfBRCC36-CfKIAA0157 complex (QSQ mutant)
分子名称: BRCA1/BRCA2-containing complex subunit 3, Protein FAM175B
著者Zeqiraj, E.
登録日2015-07-27
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.736 Å)
主引用文献Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function.
Mol.Cell, 59, 2015
8SJX
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BU of 8sjx by Molmil
Structure of lens aquaporin-0 array in sphingomyelin/cholesterol bilayer (2SM:1Chol)
分子名称: CHOLESTEROL, Lens fiber major intrinsic protein, [(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
著者Chiu, P.-L, Walz, T.
登録日2023-04-18
公開日2024-04-24
実験手法ELECTRON CRYSTALLOGRAPHY (2.5 Å)
主引用文献Structure of aquaporin-0 arrays in sphingomyelin/cholesterol membranes and implications for lipid
To Be Published
8SDI
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BU of 8sdi by Molmil
Hydrophobic Interactions Drive the Tetrameric Assembly of the TRIM45 Coiled-Coil Domain
分子名称: Tripartite motif-containing protein 45
著者Lou, X.H, Ma, B.B, Zhuang, Y, Li, X.C.
登録日2023-04-06
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Hydrophobic Interactions Drive the Tetrameric Assembly of the TRIM45 Coiled-Coil Domain
To Be Published
2G59
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BU of 2g59 by Molmil
Crystal Structure of the Catalytic Domain of Protein Tyrosine Phosphatase from Homo sapiens
分子名称: PHOSPHATE ION, Receptor-type tyrosine-protein phosphatase O
著者Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2006-02-22
公開日2006-03-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
8RRQ
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BU of 8rrq by Molmil
Crystal structure of human SYK in complex with compound 24
分子名称: GLYCEROL, N-[(1S,2R)-2-azanylcyclohexyl]-5-[2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide, Tyrosine-protein kinase SYK
著者Canevari, G.
登録日2024-01-23
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors.
Eur.J.Med.Chem., 270, 2024
3UK4
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BU of 3uk4 by Molmil
Crystal Structure of C-lobe of Bovine lactoferrin Complexed with 1,2,5-Pentanetriol at 1.98 A Resolution
分子名称: (2S)-pentane-1,2,5-triol, 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Shukla, P.K, Gautam, L, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2011-11-09
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal Structure of C-lobe of Bovine lactoferrin Complexed with 1,2,5-Pentanetriol at 1.98 A Resolution
To be Published
5CYP
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BU of 5cyp by Molmil
GTPase domain of Septin 9 in complex with GTP-gamma-S
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Septin-9
著者Matos, S.S, Leonardo, D.A, Pereira, H.M, Horjales, E, Araujo, A.P.U, Garratt, R.C.
登録日2015-07-30
公開日2016-08-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.893 Å)
主引用文献A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface
Iucrj, 2020
8SD8
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BU of 8sd8 by Molmil
Carbonic anhydrase II radiation damage RT 91-120
分子名称: Carbonic anhydrase 2, ZINC ION
著者Combs, J.E, Mckenna, R.
登録日2023-04-06
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.789 Å)
主引用文献XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures.
Acta Crystallogr D Struct Biol, 80, 2024
8RRZ
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BU of 8rrz by Molmil
Crystal structure of SYK kinase in complex with compound 1
分子名称: GLYCEROL, N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-{2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl}-1-methyl-1H-pyrazole-5-carboxamide, Tyrosine-protein kinase SYK
著者Canevari, G.
登録日2024-01-24
公開日2024-04-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery and optimization of 4-pyrazolyl-2-aminopyrimidine derivatives as potent spleen tyrosine kinase (SYK) inhibitors.
Eur.J.Med.Chem., 270, 2024
5CU2
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BU of 5cu2 by Molmil
Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and (methyl 4-((3-(3-chloro-4-(phenyl)benzylamino)propyl)amino)-4-oxobutanoat bound
分子名称: 2-hydroxy-5-methylbenzoic acid, ACETATE ION, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-24
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
8SLM
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BU of 8slm by Molmil
Crystal structure of Deinococcus geothermalis PprI
分子名称: MANGANESE (II) ION, SULFATE ION, Zn dependent hydrolase fused to HTH domain, ...
著者Zhao, Y, Lu, H.
登録日2023-04-23
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The Deinococcus protease PprI senses DNA damage by directly interacting with single-stranded DNA.
Nat Commun, 15, 2024
2G3D
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BU of 2g3d by Molmil
Structure of S65G Y66A GFP variant after spontaneous peptide hydrolysis
分子名称: Green fluorescent protein, MAGNESIUM ION
著者Barondeau, D.P.
登録日2006-02-17
公開日2006-04-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Understanding GFP Posttranslational Chemistry: Structures of Designed Variants that Achieve Backbone Fragmentation, Hydrolysis, and Decarboxylation.
J.Am.Chem.Soc., 128, 2006
5CVH
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BU of 5cvh by Molmil
Crystal Structure of CK2alpha
分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ...
著者Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M.
登録日2015-07-26
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Specific inhibition of CK2 alpha from an anchor outside the active site.
Chem Sci, 7, 2016
5CW3
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BU of 5cw3 by Molmil
Structure of CfBRCC36-CfKIAA0157 complex (Zn Edge)
分子名称: BRCA1/BRCA2-containing complex subunit 3, Protein FAM175B, ZINC ION
著者Zeqiraj, E.
登録日2015-07-27
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function.
Mol.Cell, 59, 2015
8S5J
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BU of 8s5j by Molmil
Full-length human cystathionine beta-synthase, basal state, helical reconstruction
分子名称: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE
著者McCorvie, T.J, Yue, W.W.
登録日2024-02-23
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Architecture and regulation of filamentous human cystathionine beta-synthase.
Nat Commun, 15, 2024
8SJY
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BU of 8sjy by Molmil
Structure of lens aquaporin-0 array in sphingomyelin/cholesterol bilayer (1SM:2Chol)
分子名称: CHOLESTEROL, Lens fiber major intrinsic protein, [(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
著者Chiu, P.-L, Walz, T.
登録日2023-04-18
公開日2024-04-24
実験手法ELECTRON CRYSTALLOGRAPHY (2.5 Å)
主引用文献Structure of aquaporin-0 arrays in sphingomyelin/cholesterol membranes and implications for lipid rafts
To Be Published
8SDE
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BU of 8sde by Molmil
Electrostatic-Mediated Tetramerization of the Coiled-Coil Domain in TRIM29
分子名称: GLYCEROL, Tripartite motif-containing protein 29
著者Lou, X.H, Zhuang, Y, Ma, B.B, Li, X.C.
登録日2023-04-06
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Electrostatic-Mediated Tetramerization of the Coiled-Coil Domain in TRIM29
To Be Published
5D3Y
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BU of 5d3y by Molmil
Crystal Structure of the P-Rex1 PH domain with Inositol-(1,3,4,5)-Tetrakisphosphate Bound
分子名称: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein
著者Cash, J.N, Tesmer, J.J.G.
登録日2015-08-06
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and Biochemical Characterization of the Catalytic Core of the Metastatic Factor P-Rex1 and Its Regulation by PtdIns(3,4,5)P3.
Structure, 24, 2016
2G5O
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BU of 2g5o by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide
分子名称: (9ALPHA,13BETA,17BETA)-2-[(1Z)-BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, Estrogen receptor, Nuclear receptor coactivator 2
著者Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L.
登録日2006-02-23
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Human estrogen receptor alpha ligand-binding domain in complex with 2-(but-1-enyl)-17beta-estradiol and a glucocorticoid receptor interacting protein 1 NR BOX II Peptide
To be Published
8SIH
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BU of 8sih by Molmil
Crystal Structure of PRMT4 with Compound YD1-289
分子名称: 5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine, CALCIUM ION, Histone-arginine methyltransferase CARM1
著者Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2023-04-16
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal Structure of PRMT4 with Compound YD1-289
To be published
2G6L
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BU of 2g6l by Molmil
Structure of rat nNOS heme domain (BH2 bound) complexed with NO
分子名称: 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
著者Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L.
登録日2006-02-24
公開日2006-08-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural studies of constitutive nitric oxide synthases with diatomic ligands bound.
J.Biol.Inorg.Chem., 11, 2006
5D5O
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BU of 5d5o by Molmil
HcgC from Methanocaldococcus jannaschii
分子名称: SULFATE ION, Uncharacterized protein MJ0489
著者Fujishiro, T, Ermler, U, Shima, S.
登録日2015-08-11
公開日2016-07-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of HcgC as a SAM-Dependent Pyridinol Methyltransferase in [Fe]-Hydrogenase Cofactor Biosynthesis.
Angew.Chem.Int.Ed.Engl., 55, 2016
8R7G
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BU of 8r7g by Molmil
Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234
分子名称: 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I
著者Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N.
登録日2023-11-24
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
5D6W
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BU of 5d6w by Molmil
Crystal structure of double tudor domain of human lysine demethylase KDM4A
分子名称: Lysine-specific demethylase 4A, S,R MESO-TARTARIC ACID
著者Wang, F, Su, Z, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-08-13
公開日2015-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016

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