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4ACU
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Aminoimidazoles as BACE-1 Inhibitors. X-RAY CRYSTAL STRUCTURE OF BETA SECRETASE COMPLEXED WITH COMPOUND 14
分子名称: (8S)-3,3-DIFLUORO-8-(2'-FLUORO-3'-METHOXYBIPHENYL-3-YL)-8-PYRIDIN-4-YL-2,3,4,8-TETRAHYDROIMIDAZO[1,5-A]PYRIMIDIN-6-AMINE, ACETATE ION, BETA-SECRETASE 1
著者Swahn, B, Holenz, J, Kihlstrom, J, Kolmodin, K, Lindstrom, J, Plobeck, N, Rotticci, D, Sehgelmeble, F, Sundstrom, M, von Berg, S, Falting, J, Georgievska, B, Gustavsson, S, Neelissen, J, Ek, M, Olsson, L.L, Berg, S.
登録日2011-12-19
公開日2012-02-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.
Bioorg. Med. Chem. Lett., 22, 2012
4FAF
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Substrate CA/p2 in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
分子名称: HIV-1 protease, substrate CA/p2 peptide
著者Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
登録日2012-05-22
公開日2012-08-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
4JKY
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Cobalt between two ADP's in the active site of adenylate kinase
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, COBALT (II) ION
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.373 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
4JLB
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Crystal Structures of Adenylate kinase with 2ADP's
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.528 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
7UUI
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Nucleoplasmic pre-60S intermediate of the Nog2 containing post-rotation state from a SPB1 D52A strain
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleolar GTP-binding protein 2, ...
著者Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
登録日2022-04-28
公開日2023-03-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly.
Nat Commun, 14, 2023
7UOO
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Nucleoplasmic pre-60S intermediate of the Nog2 containing pre-rotation state
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 25S rRNA, 5.8S rRNA, ...
著者Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
登録日2022-04-13
公開日2023-03-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.34 Å)
主引用文献rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly.
Nat Commun, 14, 2023
8RQB
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Cryo-EM structure of mouse heavy-chain apoferritin
分子名称: FE (III) ION, Ferritin heavy chain, N-terminally processed, ...
著者Nazarov, S, Myasnikov, A, Stahlberg, H.
登録日2024-01-17
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (1.09 Å)
主引用文献Cryo-EM structure of mouse heavy-chain apoferritin
To Be Published
8RFE
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CgsiGP2 sample in nanodisc
分子名称: Cyclic beta 1-2 glucan synthetase, URIDINE-5'-DIPHOSPHATE-GLUCOSE, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose
著者Sedzicki, J, Ni, D, Lehmann, F, Stahlberg, H, Dehio, C.
登録日2023-12-12
公開日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure-function analysis of the cyclic beta-1,2-glucan synthase from Agrobacterium tumefaciens.
Nat Commun, 15, 2024
7UQZ
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BU of 7uqz by Molmil
Nucleoplasmic pre-60S intermediate of the Nog2 containing pre-rotation state from a SPB1 D52A strain
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 25S rRNA, 5.8S rRNA, ...
著者Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
登録日2022-04-20
公開日2023-03-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly.
Nat Commun, 14, 2023
7UQB
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Nucleoplasmic pre-60S intermediate of the Nog2 containing pre-rotation state from a SPB1-D52A strain with AlF4
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 25S rRNA, 5.8S rRNA, ...
著者Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
登録日2022-04-19
公開日2023-03-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly.
Nat Commun, 14, 2023
7V08
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BU of 7v08 by Molmil
Nucleoplasmic pre-60S intermediate of the Nog2 containing pre-rotation state from a Spb1 D52A suppressor 3 strain
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 25S rRNA, 5.8S rRNA, ...
著者Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P.
登録日2022-05-10
公開日2023-03-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.36 Å)
主引用文献rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly.
Nat Commun, 14, 2023
4JLO
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BU of 4jlo by Molmil
Crystal structure of Aquifex adenylate kinase R150K mutant
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase
著者Cho, Y.-J, Phung, L, Kern, D.
登録日2013-03-12
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献The energy landscape of adenylate kinase during catalysis.
Nat.Struct.Mol.Biol., 22, 2015
6E67
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BU of 6e67 by Molmil
Structure of beta2 adrenergic receptor fused to a Gs peptide
分子名称: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Beta-2 adrenergic receptor,Endolysin,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,Beta-2 adrenergic receptor chimera
著者Liu, X, Xu, X, Hilger, D, Tiemann, J, Liu, H, Du, Y, Hirata, K, Sun, X, Guixa-Gonzalez, R, Mathiesen, J, Hildebrand, P, Kobilka, B.
登録日2018-07-24
公開日2019-06-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural Insights into the Process of GPCR-G Protein Complex Formation.
Cell, 177, 2019
6EEM
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BU of 6eem by Molmil
Crystal structure of Papaver somniferum tyrosine decarboxylase in complex with L-tyrosine
分子名称: N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-tyrosine, SULFATE ION, TYROSINE, ...
著者Torrens-Spence, M.P, Chiang, Y, Smith, T, Vicent, M.A, Wang, Y, Weng, J.K.
登録日2018-08-14
公開日2018-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.61000657 Å)
主引用文献Structural basis for divergent and convergent evolution of catalytic machineries in plant aromatic amino acid decarboxylase proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
3MTC
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BU of 3mtc by Molmil
Crystal Structure of INPP5B in complex with phosphatidylinositol 4-phosphate
分子名称: (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, CHLORIDE ION, GLYCEROL, ...
著者Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2010-04-30
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for phosphoinositide substrate recognition, catalysis, and membrane interactions in human inositol polyphosphate 5-phosphatases
Structure, 22, 2014
6U7C
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Human GRK2 in complex with Gbetagamma subunits and CCG258747
分子名称: 5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluoro-N-[(2H-indazol-3-yl)methyl]benzamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Bouley, R, Tesmer, J.J.G.
登録日2019-09-02
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献A New Paroxetine-Based GRK2 Inhibitor Reduces Internalization of themu-Opioid Receptor.
Mol.Pharmacol., 97, 2020
7MU5
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BU of 7mu5 by Molmil
Human DCTPP1 bound to Triptolide
分子名称: MAGNESIUM ION, dCTP pyrophosphatase 1, triptolide
著者Hauk, G, Berger, J.M.
登録日2021-05-14
公開日2022-08-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Triptolide sensitizes cancer cells to nucleoside DNA methyltransferase inhibitors through inhibition of DCTPP1 mediated cell-intrinsic resistance
To Be Published
3N50
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BU of 3n50 by Molmil
Human Early B-cell factor 3 (EBF3) IPT/TIG and HLHLH domains
分子名称: Transcription factor COE3
著者Lehtio, L, Siponen, M.I, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schuler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC)
登録日2010-05-24
公開日2010-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif.
J.Biol.Chem., 285, 2010
4FAE
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BU of 4fae by Molmil
Substrate p2/NC in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant
分子名称: HIV-1 protease, Substrate p2/NC peptide
著者Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C.
登録日2012-05-22
公開日2012-08-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
1TOX
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BU of 1tox by Molmil
DIPHTHERIA TOXIN DIMER COMPLEXED WITH NAD
分子名称: DIPHTHERIA TOXIN (DIMERIC), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Bell, C.E, Eisenberg, D.
登録日1995-10-06
公開日1996-06-10
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of diphtheria toxin bound to nicotinamide adenine dinucleotide.
Biochemistry, 35, 1996
1UVP
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BU of 1uvp by Molmil
Structure Of The Complex Of Porcine Pancreatic Elastase In Complex With Cadmium Refined At 1.85 A Resolution (Crystal B)
分子名称: ACETATE ION, CADMIUM ION, CHLORIDE ION, ...
著者Weiss, M.S, Panjikar, S, Mueller-Dieckmann, C, Tucker, P.A.
登録日2004-01-21
公開日2004-02-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献On the Influence of the Incident Photon Energy on the Radiation Damage in Crystalline Biological Samples
J.Synchrotron Radiat., 12, 2005
1SGK
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BU of 1sgk by Molmil
NUCLEOTIDE-FREE DIPHTHERIA TOXIN
分子名称: DIPHTHERIA TOXIN (DIMERIC)
著者Bell, C.E, Eisenberg, D.
登録日1996-09-12
公開日1996-12-23
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of nucleotide-free diphtheria toxin.
Biochemistry, 36, 1997
1VGC
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BU of 1vgc by Molmil
GAMMA-CHYMOTRYPSIN L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称: GAMMA CHYMOTRYPSIN, L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID, SULFATE ION
著者Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
2L24
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Antimicrobial peptide
分子名称: Hemagglutinin
著者Zhu, S, Aumelas, A, Gao, B.
登録日2010-08-10
公開日2011-06-22
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Convergent evolution-guided design of antimicrobial peptides derived from influenza A virus hemagglutinin.
J.Med.Chem., 54, 2011
6OOA
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BU of 6ooa by Molmil
Human CYP3A4 bound to a drug substrate
分子名称: (3aS,4R,5S,6R,8R,9R,9aR,10R)-6-ethyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propanocyclopenta[8]annulen-8-yl [(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, Cytochrome P450 3A4, GLYCEROL, ...
著者Sevrioukova, I.F.
登録日2019-04-22
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structural Insights into the Interaction of Cytochrome P450 3A4 with Suicide Substrates: Mibefradil, Azamulin and 6',7'-Dihydroxybergamottin.
Int J Mol Sci, 20, 2019

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