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6KNH
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Crystal structure of SbnH in complex with citrate, a PLP-dependent decarboxylase in Staphyloferrin B biothesynthesis
分子名称: CITRIC ACID, PHOSPHATE ION, Probable diaminopimelate decarboxylase protein
著者Tang, J, Ju, Y, Zhou, H.
登録日2019-08-05
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
3Q2A
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BU of 3q2a by Molmil
Toluene 4 monooxygenase HD complex with inhibitor p-aminobenzoate
分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-AMINOBENZOIC ACID, FE (III) ION, ...
著者Acheson, J.F, Bailey, L.J, Fox, B.G.
登録日2010-12-19
公開日2011-12-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystallographic analysis of active site contributions to regiospecificity in the diiron enzyme toluene 4-monooxygenase.
Biochemistry, 51, 2012
3Q3O
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Toluene 4 monooxygenase HD complex with phenol
分子名称: FE (III) ION, PENTAETHYLENE GLYCOL, PHENOL, ...
著者Acheson, J.F, Bailey, L.J, Fox, B.G.
登録日2010-12-22
公開日2011-12-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystallographic analysis of active site contributions to regiospecificity in the diiron enzyme toluene 4-monooxygenase.
Biochemistry, 51, 2012
4TNJ
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RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 4.5 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
登録日2014-06-04
公開日2014-07-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4TNI
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RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
登録日2014-06-04
公開日2014-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4OGA
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BU of 4oga by Molmil
Insulin in complex with Site 1 of the human insulin receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
著者Lawrence, M.C, Menting, J.G.
登録日2014-01-15
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Protective hinge in insulin opens to enable its receptor engagement.
Proc.Natl.Acad.Sci.USA, 111, 2014
4TNK
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BU of 4tnk by Molmil
RT XFEL structure of Photosystem II 250 microsec after the third illumination at 5.2 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
登録日2014-06-04
公開日2014-07-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (5.2 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
4TNH
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BU of 4tnh by Molmil
RT XFEL structure of Photosystem II in the dark state at 4.9 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
登録日2014-06-04
公開日2014-07-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (4.900007 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
6HTS
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BU of 6hts by Molmil
Cryo-EM structure of the human INO80 complex bound to nucleosome
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, Chromatin-remodeling ATPase INO80, ...
著者Ayala, R, Willhoft, O, Aramayo, R.J, Wilkinson, M, McCormack, E.A, Ocloo, L, Wigley, D.B, Zhang, X.
登録日2018-10-04
公開日2018-11-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structure and regulation of the human INO80-nucleosome complex.
Nature, 556, 2018
5EBZ
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BU of 5ebz by Molmil
Crystal structure of human IKK1
分子名称: 2,3-di-O-sulfo-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-2,4-di-O-sulfo-alpha-D-glucopyranose, 2-azanyl-5-phenyl-3-(4-sulfamoylphenyl)benzamide, Inhibitor of nuclear factor kappa-B kinase subunit alpha, ...
著者Polley, S, Passos, D, Huang, D, Biswas, T, Verma, I, Lyumkis, D, Ghosh, G.
登録日2015-10-20
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Structural Basis for the Activation of IKK1/ alpha.
Cell Rep, 17, 2016
1S88
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BU of 1s88 by Molmil
NMR structure of a DNA duplex with two INA nucleotides inserted opposite each other, dCTCAACXCAAGCT:dAGCTTGXGTTGAG
分子名称: 5'-D(*AP*GP*CP*TP*TP*GP*(2DM)P*GP*TP*TP*GP*AP*G)-3', 5'-D(*CP*TP*CP*AP*AP*CP*(2DM)P*CP*AP*AP*GP*CP*T)-3'
著者Nielsen, C.B, Petersen, M, Pedersen, E.B, Hansen, P.E, Christensen, U.B.
登録日2004-01-31
公開日2004-05-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR structure determination of a modified DNA oligonucleotide containing a new intercalating nucleic acid.
Bioconjug.Chem., 15, 2004
6OKS
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BU of 6oks by Molmil
CDTb Double Heptamer Long Form Mask 1 Modeled from Cryo-EM Map Reconstructed using C7 Symmetry
分子名称: ADP-ribosyltransferase binding component
著者Lacy, D.B, Sheedlo, M.J, Anderson, D.M.
登録日2019-04-15
公開日2019-10-30
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural insights into the transition of Clostridioides difficile binary toxin from prepore to pore.
Nat Microbiol, 5, 2020
4K4W
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BU of 4k4w by Molmil
Poliovirus polymerase elongation complex (r5+2_form)
分子名称: RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*GP*AP*CP*C)-3'), RNA (5'-R(P*GP*GP*GP*AP*GP*AP*UP*GP*AP*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*UP*CP*GP*UP*CP*GP*AP*AP*A)-3'), RNA-directed RNA polymerase 3D-POL
著者Gong, P, Peersen, O.B.
登録日2013-04-12
公開日2013-05-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts.
Plos One, 8, 2013
5E58
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BU of 5e58 by Molmil
Crystal Structure Of Cytochrome P450 2B35 from Desert Woodrat Neotoma Lepida in complex with 4-(4-chlorophenyl)imidazole
分子名称: 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 family 2 subfamily B, ...
著者Shah, M.B, Stout, C.D, Halpert, J.R.
登録日2015-10-08
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Function Analysis of Mammalian CYP2B Enzymes Using 7-Substituted Coumarin Derivatives as Probes: Utility of Crystal Structures and Molecular Modeling in Understanding Xenobiotic Metabolism.
Mol.Pharmacol., 89, 2016
7VKM
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BU of 7vkm by Molmil
Crystal structure of TrkA (G595R) kinase domain
分子名称: Tyrosine-protein kinase receptor
著者Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
登録日2021-09-30
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
7VKO
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BU of 7vko by Molmil
Crystal structure of TrkA kinase with repotrectinib
分子名称: Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor
著者Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
登録日2021-09-30
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
1ELB
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BU of 1elb by Molmil
Analogous inhibitors of elastase do not always bind analogously
分子名称: 6-ammonio-N-(trifluoroacetyl)-L-norleucyl-N-[4-(1-methylethyl)phenyl]-L-leucinamide, CALCIUM ION, ELASTASE, ...
著者Mattos, C, Rasmussen, B, Ding, X, Petsko, G.A, Ringe, D.
登録日1993-12-07
公開日1994-06-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Analogous inhibitors of elastase do not always bind analogously.
Nat.Struct.Biol., 1, 1994
7SGO
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BU of 7sgo by Molmil
Crystal structure of periplasmic domain of Helicobacter pylori FliL (residues 81 to 183) (crystal form B)
分子名称: Flagellar protein FliL
著者Chan, K.L, Peterson, B, Khan, M.F, Roujeinikova, A.
登録日2021-10-06
公開日2022-03-23
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.695 Å)
主引用文献The flagellar motor protein FliL forms a scaffold of circumferentially positioned rings required for stator activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VKN
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BU of 7vkn by Molmil
Crystal structure of TrkA (G595R) kinase with repotrectinib
分子名称: Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor
著者Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A.
登録日2021-09-30
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations.
Mol.Cancer Ther., 20, 2021
1ESA
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BU of 1esa by Molmil
DIRECT STRUCTURE OBSERVATION OF AN ACYL-ENZYME INTERMEDIATE IN THE HYDROLYSIS OF AN ESTER SUBSTRATE BY ELASTASE
分子名称: CALCIUM ION, PORCINE PANCREATIC ELASTASE, SULFATE ION
著者Ding, X, Rasmussen, B, Petsko, G.A, Ringe, D.
登録日1994-02-04
公開日1994-04-30
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Direct structural observation of an acyl-enzyme intermediate in the hydrolysis of an ester substrate by elastase.
Biochemistry, 33, 1994
5ZS0
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BU of 5zs0 by Molmil
Structure of glycoprotein B Domain IV of pseudorabies virus with 7B11 antibody
分子名称: 7B11 heavy chain, 7B11 light chain, Envelope glycoprotein B,Envelope glycoprotein B
著者Hu, X.L, Yang, F.L.
登録日2018-04-26
公開日2019-05-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Structural Basis for the Recognition of Pseudorabies Virus Glycoprotein B by a Complement-dependent Neutralizing Antibody
To Be Published
7VUP
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BU of 7vup by Molmil
Structure of NF-kB p52 homodimer bound to +1/-1 swap P-Selectin kB DNA fragment
分子名称: DNA (5'-D(*AP*AP*GP*GP*GP*GP*GP*AP*GP*TP*CP*CP*CP*CP*TP*TP*G)-3'), DNA (5'-D(*CP*AP*AP*GP*GP*GP*GP*AP*CP*TP*CP*CP*CP*CP*CP*TP*T)-3'), Nuclear factor NF-kappa-B p52 subunit
著者Meshcheryakov, V.A, Wang, V.Y.-F.
登録日2021-11-04
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structures of NF-kappa B p52 homodimer-DNA complexes rationalize binding mechanisms and transcription activation.
Elife, 12, 2023
5E0I
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BU of 5e0i by Molmil
Crystal structure of the HBV capsid Y132A mutant (VCID 8772) in complex with NVR10-001E2 at 1.95A resolution
分子名称: Capsid protein, methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate
著者Lukacs, C.M, Abendroth, J, Klumpp, K.
登録日2015-09-28
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献High-resolution crystal structure of a hepatitis B virus replication inhibitor bound to the viral core protein.
Proc.Natl.Acad.Sci.USA, 112, 2015
7VUQ
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Structure of NF-kB p52 homodimer bound to A/T-centric P-Selectin kB DNA fragment
分子名称: DNA (5'-D(*CP*AP*AP*GP*GP*GP*GP*TP*TP*AP*CP*CP*CP*CP*CP*TP*T)-3'), DNA (5'-D(*GP*AP*AP*GP*GP*GP*GP*GP*TP*AP*AP*CP*CP*CP*CP*TP*TP*G)-3'), Nuclear factor NF-kappa-B p52 subunit
著者Meshcheryakov, V.A, Wang, V.Y.-F.
登録日2021-11-04
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of NF-kappa B p52 homodimer-DNA complexes rationalize binding mechanisms and transcription activation.
Elife, 12, 2023
5XCA
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Crystal structure of GH45 endoglucanase EG27II D137A mutant in complex with cellobiose
分子名称: Endo-beta-1,4-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Nomura, T, Mizutani, K, Iwase, H, Takahashi, N, Mikami, B.
登録日2017-03-22
公開日2018-03-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献High-resolution crystal structures of the glycoside hydrolase family 45 endoglucanase EG27II from the snail Ampullaria crossean.
Acta Crystallogr D Struct Biol, 75, 2019

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