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4Q18
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BU of 4q18 by Molmil
Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 4 [1-[5-(4-{[(2,6-diaminopyrimidin-4-yl)sulfanyl]methyl}-5-propyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]-2-methylpropan-2-ol]
分子名称: 1-(5-(4-(((2,6-diaminopyrimidin-4-yl)thio)methyl)-5-propylthiazol-2-yl)-2-methoxyphenoxy)-2-methylpropan-2-ol, Deoxycytidine kinase, URIDINE-5'-DIPHOSPHATE
著者Nomme, J, Lavie, A.
登録日2014-04-03
公開日2014-11-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
J.Med.Chem., 57, 2014
2P0X
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BU of 2p0x by Molmil
solution structure of a non-biological ATP-binding protein
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ZINC ION, abiotic ATP-binding, ...
著者Mansy, S.S, Szostak, J.W, Chaput, J.C.
登録日2007-03-01
公開日2007-08-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure and Evolutionary Analysis of a Non-biological ATP-binding Protein
J.Mol.Biol., 371, 2007
5DD0
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BU of 5dd0 by Molmil
Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques
分子名称: ANTI-HIV ANTIBODY DH570 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570 FAB HEAVY LIGHT, oligo peptide
著者Zhang, R, Verkoczy, L, Wiehe, K, Alam, S.M, Nicely, N.I, Santra, S, Bradley, T, Pemble, C, Gao, F, Montefiori, D.C, Bouton-Verville, H, Kelsoe, G, Parks, R, Foulger, A, Tomaras, G, Keple, T.B, Moody, M.A, Liao, H.-X, Haynes, B.F.
登録日2015-08-24
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.488 Å)
主引用文献Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016
4RKH
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BU of 4rkh by Molmil
Structure of the MSL2 CXC domain bound with a specific MRE sequence
分子名称: DNA (5'-D(*AP*TP*CP*CP*AP*TP*CP*TP*CP*GP*CP*TP*CP*AP*T)-3'), DNA (5'-D(*AP*TP*GP*AP*GP*CP*GP*AP*GP*AP*TP*GP*GP*AP*T)-3'), E3 ubiquitin-protein ligase msl-2, ...
著者Zheng, S, Ye, K.
登録日2014-10-13
公開日2015-01-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of X chromosome DNA recognition by the MSL2 CXC domain during Drosophila dosage compensation.
Genes Dev., 28, 2014
3GJ9
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BU of 3gj9 by Molmil
crystal structure of TIP-1 in complex with c-terminal of Kir2.3
分子名称: C-terminal peptide from Inward rectifier potassium channel 4, CHLORIDE ION, Tax1-binding protein 3, ...
著者Shen, Y.
登録日2009-03-08
公開日2009-12-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular mechanism of inward rectifier potassium channel 2.3 regulation by tax-interacting protein-1
J.Mol.Biol., 392, 2009
4JDR
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BU of 4jdr by Molmil
Dihydrolipoamide dehydrogenase of pyruvate dehydrogenase from escherichia coli
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Chandrasekhar, K, Arjunan, P, Furey, W.
登録日2013-02-25
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insight to the Interaction of the Dihydrolipoamide Acetyltransferase (E2) Core with the Peripheral Components in the Escherichia coli Pyruvate Dehydrogenase Complex via Multifaceted Structural Approaches.
J.Biol.Chem., 288, 2013
5DD5
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BU of 5dd5 by Molmil
Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques
分子名称: ANTI-HIV ANTIBODY DH570.9 FAB HEAVY CHAIN
著者Nicely, N.I, Pemble IV, C.W, Haynes, B.F.
登録日2015-08-24
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016
3R9M
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BU of 3r9m by Molmil
Crystal structure of the Brox Bro1 domain
分子名称: 1,2-ETHANEDIOL, BRO1 domain-containing protein BROX, FORMIC ACID
著者Mu, R.L, Jiang, J.S, Snyder, G, Smith, P, Xiao, T.
登録日2011-03-25
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Phe105 Loop of Alix Bro1 Domain Plays a Key Role in HIV-1 Release.
Structure, 19, 2011
4JMG
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BU of 4jmg by Molmil
Crystal structure of the synthetic protein in complex with pY peptide
分子名称: Clamp Ptpn11_pY580, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 11
著者Yasui, N, Smith, L, Koide, S.
登録日2013-03-14
公開日2014-04-23
最終更新日2014-08-06
実験手法X-RAY DIFFRACTION (1.403 Å)
主引用文献Directed network wiring identifies a key protein interaction in embryonic stem cell differentiation.
Mol.Cell, 54, 2014
3LX7
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BU of 3lx7 by Molmil
Crystal structure of a Novel Tudor domain-containing protein SGF29
分子名称: SAGA-associated factor 29 homolog, SULFATE ION, UNKNOWN ATOM OR ION
著者Bian, C.B, Xu, C, Tempel, W, Lam, R, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J.
登録日2010-02-24
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Sgf29 binds histone H3K4me2/3 and is required for SAGA complex recruitment and histone H3 acetylation.
Embo J., 30, 2011
4RV3
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BU of 4rv3 by Molmil
Crystal structure of a pentafluoro-Phe incorporated Phosphatidylinositol-specific phospholipase C (H258X)from Staphylococcus aureus
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ACETATE ION
著者He, T, Gershenson, A, Eyles, S.J, Gao, J, Roberts, M.F.
登録日2014-11-24
公開日2015-07-01
最終更新日2018-08-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fluorinated Aromatic Amino Acids Distinguish Cation-pi Interactions from Membrane Insertion.
J.Biol.Chem., 290, 2015
1M8S
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BU of 1m8s by Molmil
Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 5.9)
分子名称: 1,4-BUTANEDIOL, CADMIUM ION, phospholipase a2
著者Xu, S, Gu, L, Zhou, Y, Lin, Z.
登録日2002-07-25
公開日2003-02-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio
Biochem.Biophys.Res.Commun., 300, 2003
3QUX
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BU of 3qux by Molmil
Structure of the mouse CD1d-alpha-C-GalCer-iNKT TCR complex
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, Antigen-presenting glycoprotein CD1d1, ...
著者Li, Y, Girardi, E, Yu, E.D, Zajonc, D.M.
登録日2011-02-24
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis.
Embo J., 30, 2011
1M8R
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BU of 1m8r by Molmil
Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 7.4)
分子名称: 1,4-BUTANEDIOL, CADMIUM ION, phospholipase A2
著者Xu, S, Gu, L, Zhou, Y, Lin, Z.
登録日2002-07-25
公開日2003-02-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio
Biochem.Biophys.Res.Commun., 300, 2003
3PKJ
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BU of 3pkj by Molmil
Human SIRT6 crystal structure in complex with 2'-N-Acetyl ADP ribose
分子名称: NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ...
著者Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC)
登録日2010-11-11
公開日2011-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure and biochemical functions of SIRT6.
J.Biol.Chem., 286, 2011
3TO4
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BU of 3to4 by Molmil
Structure of mouse Valpha14Vbeta2-mouseCD1d-alpha-Galactosylceramide
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, Antigen-presenting glycoprotein CD1d1, ...
著者Patel, O, Rossjohn, J.
登録日2011-09-04
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Vbeta2 natural killer T cell antigen receptor-mediated recognition of CD1d-glycolipid antigen.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PXG
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BU of 3pxg by Molmil
Structure of MecA121 and ClpC1-485 complex
分子名称: Adapter protein mecA 1, Negative regulator of genetic competence ClpC/MecB
著者Wang, F, Mei, Z.Q, Wang, J.W, Shi, Y.G.
登録日2010-12-09
公開日2011-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.654 Å)
主引用文献Structure and mechanism of the hexameric MecA-ClpC molecular machine.
Nature, 471, 2011
8K76
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BU of 8k76 by Molmil
Crystal structure of S-adenosylmethionine-dependent methyltransferase from Fusobacterium nucleatum
分子名称: S-adenosylmethionine-dependent methyltransferase
著者He, S.R, Bai, X, Zhang, J, Zhao, Z.D.
登録日2023-07-26
公開日2023-08-23
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Crystal structure of S-adenosylmethionine-dependent methyltransferase from Fusobacterium nucleatum
To Be Published
5ZE6
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BU of 5ze6 by Molmil
CRYSTAL STRUCTURE OF OCTAPRENYL PYROPHOSPHATE SYNTHASE FROM ESCHERICHIA COLI WITH BPH-981
分子名称: 2-hydroxy-6-(tetradecyloxy)benzoic acid, MAGNESIUM ION, Octaprenyl diphosphate synthase
著者Han, X, Liu, W.D, Zheng, Y.Y, Ko, T.P, Chen, C.C, Guo, R.T.
登録日2018-02-26
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of Lipophilic Bisphosphonates That Target Bacterial Cell Wall and Quinone Biosynthesis.
J.Med.Chem., 62, 2019
4GB9
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BU of 4gb9 by Molmil
Potent and Highly Selective Benzimidazole Inhibitors of PI3K-delta
分子名称: 2-[1-({2-[2-(dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9H-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Murray, J.M.
登録日2012-07-26
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.438 Å)
主引用文献Potent and highly selective benzimidazole inhibitors of PI3-kinase delta.
J.Med.Chem., 55, 2012
8GVL
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BU of 8gvl by Molmil
PTPN21 FERM
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Tyrosine-protein phosphatase non-receptor type 21
著者Chen, L, Zheng, Y.Y, Zhou, C.
登録日2022-09-15
公開日2023-09-20
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
8GWH
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BU of 8gwh by Molmil
PTPN21 PTP domain C1108S mutant in complex with SRC pTyr530 peptide
分子名称: SRC pTyr530 peptide, Tyrosine-protein phosphatase non-receptor type 21
著者Chen, L, Zheng, Y.Y, Zhou, C.
登録日2022-09-17
公開日2023-09-20
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of PTPN21 reveals a dominant-negative effect of the FERM domain on its phosphatase activity.
Sci Adv, 10, 2024
6H9L
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BU of 6h9l by Molmil
Kcr_0859 delta TM from Korarchaeum cryptofilum
分子名称: Uncharacterized protein
著者Hartmann, M.D, Lupas, A.N, Hernandez Alvarez, B.
登録日2018-08-04
公開日2019-02-13
最終更新日2019-03-13
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Characterization of MCU-Binding Proteins MCUR1 and CCDC90B - Representatives of a Protein Family Conserved in Prokaryotes and Eukaryotic Organelles.
Structure, 27, 2019
5YXI
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BU of 5yxi by Molmil
Designed protein dRafX6
分子名称: Designed protein dRafX6
著者Liu, R.
登録日2017-12-05
公開日2018-12-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献De novo sequence redesign of a functional Ras-binding domain globally inverted the surface charge distribution and led to extreme thermostability.
Biotechnol.Bioeng., 118, 2021
3L9R
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BU of 3l9r by Molmil
Crystal structure of bovine CD1b3 with endogenously bound ligands
分子名称: (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2S)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M, Girardi, E.
登録日2010-01-05
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of bovine CD1b3 with endogenously bound ligands.
J.Immunol., 185, 2010

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