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4LWU
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BU of 4lwu by Molmil
The 1.14A Crystal Structure of Humanized Xenopus MDM2 with RO5499252
分子名称: (2'S,3R,4'S,5'R)-N-(4-carbamoylphenyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Graves, B.J, Lukacs, C, Janson, C.A.
登録日2013-07-28
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
7M7G
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BU of 7m7g by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 2
分子名称: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
著者Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
登録日2021-03-28
公開日2021-11-17
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
8VCY
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BU of 8vcy by Molmil
Human TCR A2.13 in complex with DQ8-InsC8-15NPY
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hybrid insulin peptide (HIP; InsC8-15-NPY68-74), ...
著者Tran, T.M, Lim, J.J, Loh, T.Y, Mannering, I.S, Rossjohn, J, Reid, H.H.
登録日2023-12-14
公開日2024-08-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A structural basis of T cell cross-reactivity to native and spliced self-antigens presented by HLA-DQ8.
J.Biol.Chem., 300, 2024
2BIK
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BU of 2bik by Molmil
Human Pim1 phosphorylated on Ser261
分子名称: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, CHLORIDE ION, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1
著者Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K.
登録日2005-01-22
公開日2005-02-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Human Pim1 Phosphorylated on Ser261
To be Published
8VME
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BU of 8vme by Molmil
Crystal structure of the GSK-3/Axin complex bound to a phosphorylated beta-catenin T41A peptide
分子名称: ADENOSINE-5'-DIPHOSPHATE, Axin-1, Catenin beta-1, ...
著者Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I.
登録日2024-01-13
公開日2024-08-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional effects of phosphopriming and scaffolding in the kinase GSK-3 beta.
Sci.Signal., 17, 2024
8VMF
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BU of 8vmf by Molmil
Crystal structure of a transition-state mimic of the GSK-3/Axin complex bound to a beta-catenin S45D peptide
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ...
著者Enos, M.D, Gavagan, M, Jameson, N, Zalatan, J.G, Weis, W.I.
登録日2024-01-13
公開日2024-08-28
最終更新日2024-09-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional effects of phosphopriming and scaffolding in the kinase GSK-3 beta.
Sci.Signal., 17, 2024
4DSN
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BU of 4dsn by Molmil
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
分子名称: 1,2-ETHANEDIOL, GTPase KRas, isoform 2B, ...
著者Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W.
登録日2012-02-19
公開日2012-04-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
1KCD
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BU of 1kcd by Molmil
Endopolygalacturonase I from Stereum purpureum complexed with two galacturonate at 1.15 A resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ...
著者Shimizu, T, Nakatsu, T, Miyairi, K, Okuno, T, Kato, H.
登録日2001-11-08
公開日2002-06-05
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Active-site architecture of endopolygalacturonase I from Stereum purpureum revealed by crystal structures in native and ligand-bound forms at atomic resolution.
Biochemistry, 41, 2002
1KCC
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BU of 1kcc by Molmil
Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ...
著者Shimizu, T, Nakatsu, T, Miyairi, K, Okuno, T, Kato, H.
登録日2001-11-08
公開日2002-06-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Active-site architecture of endopolygalacturonase I from Stereum purpureum revealed by crystal structures in native and ligand-bound forms at atomic resolution.
Biochemistry, 41, 2002
4M2L
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BU of 4m2l by Molmil
Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus in nucleotide-free form
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, SULFATE ION, ...
著者Nikonov, O.S, Stolboushkina, E.A, Arkhipova, V.I, Gabdulkhakov, A.G, Nikulin, A.D, Garber, M.B, Nikonov, S.V.
登録日2013-08-05
公開日2014-03-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.149 Å)
主引用文献Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2.
Acta Crystallogr.,Sect.D, 70, 2014
2BVV
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BU of 2bvv by Molmil
SUGAR RING DISTORTION IN THE GLYCOSYL-ENZYME INTERMEDIATE OF A FAMILY G/11 XYLANASE.
分子名称: PROTEIN (ENDO-1,4-BETA-XYLANASE)
著者Sidhu, G, Brayer, G.D.
登録日1998-11-17
公開日1999-06-02
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Sugar ring distortion in the glycosyl-enzyme intermediate of a family G/11 xylanase.
Biochemistry, 38, 1999
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
分子名称: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Wang, C, Zhang, P, Dong, J.
登録日2016-03-07
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
3GGC
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BU of 3ggc by Molmil
Human hypoxanthine-guanine phosphoribosyltransferase in complex with 9-(2-phosphonoethoxyethyl)hypoxanthine
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, {2-[2-(6-oxo-1,6-dihydro-9H-purin-9-yl)ethoxy]ethyl}phosphonic acid
著者Guddat, L.W, Keough, D.T, Jersey, J.
登録日2009-02-27
公開日2009-08-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Inhibition of hypoxanthine-guanine phosphoribosyltransferase by acyclic nucleoside phosphonates: a new class of antimalarial therapeutics.
J.Med.Chem., 52, 2009
5IND
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BU of 5ind by Molmil
Crystal structure of HLA-B5801, a protective HLA allele for HIV-1 infection
分子名称: Beta-2-microglobulin, GLN-ALA-SER-GLN-ASP-VAL-LYS-ASN-TRP, HLA class I histocompatibility antigen, ...
著者Li, X, Wang, J.-H.
登録日2016-03-07
公開日2016-10-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.132 Å)
主引用文献Crystal structure of HLA-B*5801, a protective HLA allele for HIV-1 infection.
Protein Cell, 7, 2016
4USC
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BU of 4usc by Molmil
Crystal structure of peroxidase from palm tree Chamaerops excelsa
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Bernardes, A, Santos, J.C, Textor, L.C, Cuadrado, N.H, Kostetsky, E.Y, Roig, M.G, Muniz, J.R.C, Shnyrov, V.L, Polikarpov, I.
登録日2014-07-07
公開日2015-05-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure Analysis of Peroxidase from the Palm Tree Chamaerops Excelsa.
Biochimie, 111, 2015
5INQ
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BU of 5inq by Molmil
Mouse Tdp2 reaction product (5'-phosphorylated DNA)-Ca2+ complex
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Schellenberg, M.J, Williams, R.S.
登録日2016-03-07
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Nucleic Acids Res., 44, 2016
3GDW
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BU of 3gdw by Molmil
Crystal structure of sigma-54 interaction domain protein from Enterococcus faecalis
分子名称: 1,2-ETHANEDIOL, Sigma-54 interaction domain protein
著者Chang, C, Sather, A, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-02-24
公開日2009-03-10
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of sigma-54 interaction domain protein from Enterococcus faecalis
To be Published
8VPI
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BU of 8vpi by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 462
分子名称: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
7LQM
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BU of 7lqm by Molmil
Glucosamie-6-phosphate Deaminase from Pasturella multocida
分子名称: 1,2-ETHANEDIOL, Glucosamine-6-phosphate deaminase
著者Subramanian, R, Srinivasachari, S.
登録日2021-02-14
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A dimer between monomers and hexamers-Oligomeric variations in glucosamine-6-phosphate deaminase family.
Plos One, 18, 2023
2XDM
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BU of 2xdm by Molmil
Crystal structure of a complex between Actinomadura R39 DD peptidase and a peptidoglycan mimetic boronate inhibitor
分子名称: (D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHYLBORONIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COBALT (II) ION, ...
著者Rocaboy, M, Sauvage, E, Herman, R, Kerff, F, Charlier, P.
登録日2010-05-04
公開日2010-07-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of a Complex between the Actinomadura R39 Dd-Peptidase and a Peptidoglycan- Mimetic Boronate Inhibitor: Interpretation of a Transition State Analogue in Terms of Catalytic Mechanism.
Biochemistry, 49, 2010
7LK7
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BU of 7lk7 by Molmil
Structure of the Exo-alpha-L-galactosidase BpGH29 from Bacteroides plebeius in complex with L-galactose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Exo-alpha-L-galactosidase, ...
著者Boraston, A.B, Robb, C.S.
登録日2021-02-01
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
1KGI
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BU of 1kgi by Molmil
Rat transthyretin (also called prealbumin) complex with 3,3',5,5'-tetraiodothyroacetic acid (t4ac)
分子名称: 3,3',5,5'-TETRAIODOTHYROACETIC ACID, TRANSTHYRETIN
著者Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W.
登録日2001-11-27
公開日2002-11-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Complex of rat transthyretin with tetraiodothyroacetic acid refined at 2.1 and 1.8 A resolution.
Acta Biochim.Pol., 48, 2001
7LJJ
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BU of 7ljj by Molmil
Structure of the Exo-alpha-L-galactosidase BpGH29 from Bacteroides plebeius
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Exo-alpha-L-galactosidase
著者Robb, C.S, Boraston, A.B.
登録日2021-01-29
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
9BYF
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Fab 212-55 in complex with OspA
分子名称: 1,2-ETHANEDIOL, 221-55 Fab Heavy Chain, 221-55 Fab Light Chain, ...
著者Rudolph, M.J, Mantis, N.
登録日2024-05-23
公開日2025-08-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Fab 212-55 in complex with OspA
To Be Published
3GGF
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Crystal structure of human Serine/threonine-protein kinase MST4 in complex with an quinazolin
分子名称: CADMIUM ION, Serine/threonine-protein kinase MST4, [4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE
著者Chaikuad, A, Rellos, P, Eidarus, S, Das, S, Pike, A.C.W, Sethi, R, Fedorov, O, Savitsky, P, Roos, A.K, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC)
登録日2009-02-27
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural comparison of human mammalian ste20-like kinases
Plos One, 5, 2010

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