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1VQ7
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BU of 1vq7 by Molmil
The structure of the transition state analogue "DCA" bound to the large ribosomal subunit of haloarcula marismortui
分子名称: 23S ribosomal rna, 5'-R(*CP*CP*(5AA)P*(2OP)P*(PAE)P*AP*C*C)-3'), 50S RIBOSOMAL PROTEIN L10E, ...
著者Schmeing, T.M, Steitz, T.A.
登録日2004-12-16
公開日2005-11-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An induced-fit mechanism to promote peptide bond formation and exclude hydrolysis of peptidyl-tRNA.
Nature, 438, 2005
4NZK
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BU of 4nzk by Molmil
Crystal structure of a DHHW family protein (EUBSIR_00411) from Eubacterium siraeum DSM 15702 at 1.49 A resolution
分子名称: 1,2-ETHANEDIOL, UNKNOWN LIGAND, Uncharacterized protein
著者Joint Center for Structural Genomics (JCSG)
登録日2013-12-12
公開日2014-01-15
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Crystal structure of a hypothetical protein (EUBSIR_00411) from Eubacterium siraeum DSM 15702 at 1.49 A resolution
To be published
4NZS
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BU of 4nzs by Molmil
Crystal structure of beta-ketothiolase BktB B from Ralstonia eutropha H16
分子名称: Beta-ketothiolase BktB
著者Kim, E.J, Son, H, Kim, S, Kim, K.J.
登録日2013-12-12
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Crystal structure and biochemical characterization of beta-keto thiolase B from polyhydroxyalkanoate-producing bacterium Ralstonia eutropha H16
Biochem.Biophys.Res.Commun., 444, 2014
8YEY
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BU of 8yey by Molmil
TRIP4 ASCH domain in complex with ssDNA-1
分子名称: Activating signal cointegrator 1, DNA (5'-D(*GP*TP*TP*TP*C)-3')
著者Ding, J, Yang, H, Hu, C.
登録日2024-02-23
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical and structural characterization of the DNA-binding properties of human TRIP4 ASCH domain reveals insights into its functional role.
Structure, 2024
8ZR5
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BU of 8zr5 by Molmil
Cryo-EM Structure of GPR119-Gs-Firuglipel complex
分子名称: 4-[5-[(1~{R})-1-(4-cyclopropylcarbonylphenoxy)propyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-~{N}-[(2~{R})-1-oxidanylpropan-2-yl]benzamide, Glucose-dependent insulinotropic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wong, T.S, Zeng, Z.C, Xiong, T.T, Gan, S.Y, Qiu, C, Du, Y.
登録日2024-06-04
公開日2024-06-19
実験手法ELECTRON MICROSCOPY (3.31 Å)
主引用文献Cryo-EM structure of GPR119-Gs complex
To Be Published
8YZK
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BU of 8yzk by Molmil
Orphan receptor GPRC5D in complex with scFv150-18
分子名称: Soluble cytochrome b562,G-protein coupled receptor family C group 5 member D, scFv
著者Yan, P, Lin, X, Xu, F.
登録日2024-04-07
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The binding mechanism of an anti-multiple myeloma antibody to the human GPRC5D homodimer.
Nat Commun, 15, 2024
8Z8X
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BU of 8z8x by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription initiation conformation
分子名称: PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
登録日2024-04-22
公開日2024-05-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
9EXW
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BU of 9exw by Molmil
Crystal structure of the PWWP1 domain of NSD2 bound by compound 17.
分子名称: 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, Histone-lysine N-methyltransferase NSD2
著者Collie, G.W.
登録日2024-04-09
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
J.Med.Chem., 67, 2024
5VJK
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BU of 5vjk by Molmil
Crystal structure of H7 hemagglutinin mutant (V186K, K193T, G228S) from the influenza virus A/Shanghai/2/2013 (H7N9)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
著者Zhu, X, Wilson, I.A.
登録日2017-04-19
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献Three mutations switch H7N9 influenza to human-type receptor specificity.
PLoS Pathog., 13, 2017
9FFH
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BU of 9ffh by Molmil
Native capsid of Rhodobacter microvirus Ebor computed with I4 symmetry
分子名称: Major capsid protein
著者Bardy, P, MacDonald, C.I.W, Jenkins, H.T, Chechik, M, Hart, S.J, Turkenburg, J.P, Blaza, J.N, Fogg, P.C.M, Antson, A.A.
登録日2024-05-23
公開日2024-06-12
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A stargate mechanism of Microviridae genome delivery unveiled by cryogenic electron tomography.
Biorxiv, 2024
5VMF
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BU of 5vmf by Molmil
Influenza hemagglutinin H1 mutant DH1D in complex with 6'SLN
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, Hemagglutinin HA1, ...
著者Ni, F, Kondrashkina, E, Wang, Q.
登録日2017-04-27
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Determinant of receptor-preference switch in influenza hemagglutinin.
Virology, 513, 2017
4NVH
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BU of 4nvh by Molmil
Predicting protein conformational response in prospective ligand discovery
分子名称: 3-nitroquinolin-4-amine, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fraser, J.S.
登録日2013-12-05
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4UWD
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BU of 4uwd by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) D315E VARIANT in complex with Mn(II) and N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine (IOX3/UN9)
分子名称: EGL NINE HOMOLOG 1, MANGANESE (II) ION, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE
著者Chowdhury, R, Tarhonskaya, H, Schofield, C.J.
登録日2014-08-11
公開日2014-08-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.721 Å)
主引用文献Investigating the Contribution of the Active Site Environment to the Slow Reaction of Hypoxia-Inducible Factor Prolyl Hydroxylase Domain 2 with Oxygen.
Biochem.J., 463, 2014
9B5P
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BU of 9b5p by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - cluster 1 map and model (ATP/Mg)
分子名称: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
3HBZ
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BU of 3hbz by Molmil
Crystal structure of a putative glycoside hydrolase (bt_2081) from bacteroides thetaiotaomicron vpi-5482 at 2.05 A resolution
分子名称: ACETATE ION, CACODYLATE ION, CALCIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2009-05-05
公開日2009-05-26
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of Bacteroides thetaiotaomicron BT2081 at 2.05 A resolution: the first structural representative of a new protein family that may play a role in carbohydrate metabolism.
Acta Crystallogr.,Sect.F, 66, 2010
1VQ5
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BU of 1vq5 by Molmil
The structure of the transition state analogue "RAA" bound to the large ribosomal subunit of haloarcula marismortui
分子名称: 23S ribosomal rna, 5'-D(*(DC)P*(DC)P*(5AA)P*(2OP)P*(PO2)P*AP*C*C)-3'), 50S RIBOSOMAL PROTEIN L10E, ...
著者Schmeing, T.M, Steitz, T.A.
登録日2004-12-16
公開日2005-11-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Insights into the Roles of Water and the 2' Hydroxyl of the P Site tRNA in the Peptidyl Transferase Reaction.
Mol.Cell, 20, 2005
4USW
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BU of 4usw by Molmil
Crystal structure of human soluble Adenylyl Cyclase with ATP
分子名称: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ADENYLATE CYCLASE TYPE 10, ...
著者Kleinboelting, S, Steegborn, C.
登録日2014-07-13
公開日2014-07-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural Analysis of Human Soluble Adenylyl Cyclase and Crystal Structures of its Nucleotide Complexes -Implications for Cyclase Catalysis and Evolution.
FEBS J., 281, 2014
3H3H
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BU of 3h3h by Molmil
Crystal structure of a snoal-like protein of unknown function (bth_ii0226) from burkholderia thailandensis e264 at 1.60 A resolution
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, UNKNOWN LIGAND, uncharacterized SnoaL-like protein
著者Joint Center for Structural Genomics (JCSG)
登録日2009-04-16
公開日2009-05-05
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of SnoaL-like protein of unknown function (YP_438428.1) from Burkholderia thailandensis E264 at 1.60 A resolution
To be published
9B5W
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BU of 9b5w by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - Ub(T) class 1 map and model from cluster 5 (ATP/Mg)
分子名称: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (3.96 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
3HCH
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BU of 3hch by Molmil
Structure of the C-terminal domain (MsrB) of Neisseria meningitidis PilB (complex with substrate)
分子名称: (2S)-2-(acetylamino)-N-methyl-4-[(R)-methylsulfinyl]butanamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRIC ACID, ...
著者Ranaivoson, F.M, Kauffmann, B, Favier, F.
登録日2009-05-06
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Methionine sulfoxide reductase B displays a high level of flexibility.
J.Mol.Biol., 394, 2009
2XN8
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BU of 2xn8 by Molmil
X-RAY STRUCTURE OF THE SUBSTRATE-FREE MYCOBACTERIUM TUBERCULOSIS CYTOCHROME P450 CYP125
分子名称: PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 125, SULFATE ION
著者Ouellet, H, Kells, P.M, Ortiz de Montellano, P.R, Podust, L.M.
登録日2010-07-30
公開日2010-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Reverse Type I Inhibitor of Mycobacteriumtuberculosis Cyp125A1.
Bioorg.Med.Chem.Lett., 21, 2011
9B5T
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BU of 9b5t by Molmil
Ubiquitin E1-Ub-E2 tetrahedral transthiolation intermediate mimic (singly Ub-loaded) - cluster 5 map and model (ATP/Mg)
分子名称: 4-aminobutanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Kochanczyk, T, Lima, C.D.
登録日2024-03-22
公開日2024-06-05
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structural basis for transthiolation intermediates in the ubiquitin pathway
To be published
5CQM
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BU of 5cqm by Molmil
GTB mutant with mercury - E303C
分子名称: Histo-blood group ABO system transferase, MERCURY (II) ION
著者Gagnon, S.M.L, Blackler, R.J.
登録日2015-07-22
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
4NWM
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BU of 4nwm by Molmil
Crystal structure of Bruton agammaglobulinemia tyrosine kinase complexed with BMS-809959 aka 4-tert-butyl-n-[2-me thyl-3-(6-{[4-(morpholine-4-carbonyl)phenyl]amino}-9h- purin-2-yl)phenyl]benzamide
分子名称: 4-tert-butyl-N-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7H-purin-2-yl)phenyl]benzamide, Tyrosine-protein kinase BTK
著者Muckelbauer, J.K.
登録日2013-12-06
公開日2014-04-02
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Purine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors for autoimmune diseases.
Bioorg.Med.Chem.Lett., 24, 2014
4NWX
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BU of 4nwx by Molmil
Crystal structure of phosphoglycerate mutase from Staphylococcus aureus in 2-phosphoglyceric acid bound form
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, 2-PHOSPHOGLYCERIC ACID, ...
著者Roychowdhury, A, Kundu, A, Bose, M, Gujar, A, Das, A.K.
登録日2013-12-07
公開日2015-01-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Complete catalytic cycle of cofactor-independent phosphoglycerate mutase involves a spring-loaded mechanism
Febs J., 282, 2015

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