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2UPJ
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BU of 2upj by Molmil
HIV-1 PROTEASE COMPLEX WITH U100313 ([3-[[3-[CYCLOPROPYL [4-HYDROXY-2OXO-6-[1-(PHENYLMETHYL)PROPYL]-2H-PYRAN-3-YL] METHYL]PHENYL]AMINO]-3-OXO-PROPYL]CARBAMIC ACID TERT-BUTYL ESTER)
分子名称: HIV-1 PROTEASE, [2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY-2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL-METHYL}-PHENYLCARBAMOYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
著者Watenpaugh, K.D, Mulichak, A.M, Janakiraman, M.N.
登録日1996-03-04
公開日1996-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-based design of novel HIV protease inhibitors: carboxamide-containing 4-hydroxycoumarins and 4-hydroxy-2-pyrones as potent nonpeptidic inhibitors.
J.Med.Chem., 38, 1995
4LYI
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BU of 4lyi by Molmil
Crystal Structure of apo-BRD4(1)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, IODIDE ION, ...
著者Wohlwend, D.
登録日2013-07-31
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
7KRF
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BU of 7krf by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-4-(3-(2-cyanovinyl)-5-fluorophenoxy)-3-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenyl sulfurofluoridate (JLJ710)
分子名称: 4-{3-[(E)-2-cyanoethenyl]-5-fluorophenoxy}-3-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenyl sulfurofluoridate, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
著者Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-11-19
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Covalent Inhibition of Wild-Type HIV-1 Reverse Transcriptase Using a Fluorosulfate Warhead.
Acs Med.Chem.Lett., 12, 2021
8TPX
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BU of 8tpx by Molmil
Crosslinked 6-deoxyerythronolide B synthase (DEBS) Module 3 in complex with antibody fragment 1B2: trans-oriented 1B2 and ACP
分子名称: Antibody Fragment 1B2, Heavy Chain, Light Chain, ...
著者Cogan, D.P, Soohoo, A.M, Chen, M, Brodsky, K.L, Liu, Y, Khosla, C.
登録日2023-08-05
公開日2024-08-07
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural Basis for Intermodular Communication in Assembly-Line Polyketide Biosynthesis
To Be Published
2DJG
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BU of 2djg by Molmil
Re-determination of the native structure of human dipeptidyl peptidase I (cathepsin C)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Dipeptidyl-peptidase 1, ...
著者Molgaard, A, Arnau, J, Lauritzen, C, Larsen, S, Petersen, G, Pedersen, J.
登録日2006-04-02
公開日2006-11-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The crystal structure of human dipeptidyl peptidase I (cathepsin C) in complex with the inhibitor Gly-Phe-CHN2
Biochem.J., 401, 2007
7KJ4
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BU of 7kj4 by Molmil
SARS-CoV-2 Spike Glycoprotein with three ACE2 Bound
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, Angiotensin-converting enzyme 2, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B.
登録日2020-10-25
公開日2020-11-11
最終更新日2021-02-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A trimeric human angiotensin-converting enzyme 2 as an anti-SARS-CoV-2 agent.
Nat.Struct.Mol.Biol., 28, 2021
1N6D
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BU of 1n6d by Molmil
Tricorn protease in complex with tetrapeptide chloromethyl ketone derivative
分子名称: DECANE, RVRK, Tricorn protease
著者Kim, J.-S, Groll, M, Huber, R, Brandstetter, H.
登録日2002-11-10
公開日2002-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Navigation Inside a Protease: Substrate Selection and Product Exit in the Tricorn Protease from Thermoplasma acidophilum
J.Mol.Biol., 324, 2002
7KSL
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BU of 7ksl by Molmil
Substrate-free human mitochondrial LONP1
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C.
登録日2020-11-23
公開日2020-12-09
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of the human LONP1 protease reveal regulatory steps involved in protease activation.
Nat Commun, 12, 2021
2DKA
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BU of 2dka by Molmil
Crystal structure of N-acetylglucosamine-phosphate mutase, a member of the alpha-D-phosphohexomutase superfamily, in the apo-form
分子名称: Phosphoacetylglucosamine mutase
著者Nishitani, Y, Maruyama, D, Nonaka, T, Kita, A, Fukami, T.A, Mio, T, Yamada-Okabe, H, Yamada-Okabe, T, Miki, K.
登録日2006-04-07
公開日2006-05-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal Structures of N-Acetylglucosamine-phosphate Mutase, a Member of the {alpha}-D-Phosphohexomutase Superfamily, and Its Substrate and Product Complexes.
J.Biol.Chem., 281, 2006
7QJW
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BU of 7qjw by Molmil
In vitro assembled tau filaments with structures like chronic traumatic encephalopathy type II (8a)
分子名称: Microtubule-associated protein tau
著者Lovestam, S, Scheres, S.H.W.
登録日2021-12-17
公開日2022-01-19
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Assembly of recombinant tau into filaments identical to those of Alzheimer's disease and chronic traumatic encephalopathy.
Elife, 11, 2022
8TOP
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BU of 8top by Molmil
Cryo-EM structure of HIV-1 Env BG505 DS-SOSIP in complex with antibody GPZ6-b.01 targeting the fusion peptide
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, HIV-1 BG505 DS-SOSIP glycoprotein gp41, ...
著者Zhou, T, Morano, N.C, Roark, R.S, Kwong, P.D.
登録日2023-08-03
公開日2024-08-07
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Cryo-EM structure of HIV-1 Env BG505 DS-SOSIP in complex with antibody GPZ6-b.01 targeting the fusion peptide
To Be Published
3FGD
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BU of 3fgd by Molmil
Drugscore FP: Thermoylsin in complex with fragment.
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Englert, L, Heine, A, Klebe, G.
登録日2008-12-05
公開日2009-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Drugscore FP: Profiling Protein-Ligand Interactions using Fingerprint Simplicity paired with Knowledge-Based Potential Fields
To be Published
4MHV
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BU of 4mhv by Molmil
Crystal structure of the PNT domain of human ETS2
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Newman, J.A, Cooper, C.D.O, Krojer, T, Shrestha, L, Burgess-brown, N, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O.
登録日2013-08-30
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of the PNT domain of human ETS2
To be Published
8TOZ
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BU of 8toz by Molmil
Class III PreQ1 riboswitch double mutant U8C/A85G
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, Class-III preQ1 riboswitch
著者Srivastava, Y, Jenkins, J.L, Wedekind, J.E.
登録日2023-08-04
公開日2024-08-07
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献New insights into Class III PreQ1 metabolite binding
To Be Published
2UVR
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BU of 2uvr by Molmil
Crystal structures of mutant Dpo4 DNA polymerases with 8-oxoG containing DNA template-primer constructs
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*C)-3', 5'-D(*TP*CP*AP*CP*8OGP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ...
著者Irimia, A, Egli, M.
登録日2007-03-13
公開日2007-05-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Hydrogen Bonding of 7,8-Dihydro-8-Oxodeoxyguanosine with a Charged Residue in the Little Finger Domain Determines Miscoding Events in Sulfolobus Solfataricus DNA Polymerase Dpo4.
J.Biol.Chem., 282, 2007
5C8D
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BU of 5c8d by Molmil
Crystal structure of full-length Thermus thermophilus CarH bound to adenosylcobalamin (dark state)
分子名称: 5'-DEOXYADENOSINE, COBALAMIN, Light-dependent transcriptional regulator CarH
著者Jost, M, Drennan, C.L.
登録日2015-06-25
公開日2015-09-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
3F5W
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BU of 3f5w by Molmil
KcsA Potassium channel in the open-inactivated state with 32 A opening at T112
分子名称: Antibody heavy chain, Antibody light chain, POTASSIUM ION, ...
著者Cuello, L.G, Jogini, V, Cortes, D.M, Perozo, E.
登録日2008-11-04
公開日2010-05-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献KcsA Potassium channel in the open-inactivated state with 32 A opening at T112
TO BE PUBLISHED
8TNF
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BU of 8tnf by Molmil
Crystal structure of sulfohexulose-1-phosphate aldolase from Paracoccus onubensis strain Merri
分子名称: DUF2090 domain-containing protein
著者Lee, M.
登録日2023-08-01
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A patchwork pathway for catabolism degradation of the sulfosugar sulfofucose
To Be Published
7L0W
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BU of 7l0w by Molmil
Human Bocavirus 1 (pH 5.5)
分子名称: VP2
著者Luo, M, Mietzsch, M, Agbandje-McKenna, M.
登録日2020-12-13
公開日2021-01-27
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献pH-Induced Conformational Changes of Human Bocavirus Capsids.
J.Virol., 95, 2021
5C9P
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BU of 5c9p by Molmil
Crystal structure of recombinant PLL lectin complexed with L-fucose from Photorhabdus luminescens at 1.75 A resolution
分子名称: GLYCEROL, PLL lectin, alpha-L-fucopyranose
著者Kumar, A, Sykorova, P, Demo, G, Dobes, P, Hyrsl, P, Wimmerova, M.
登録日2015-06-28
公開日2016-10-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Novel Fucose-binding Lectin from Photorhabdus luminescens (PLL) with an Unusual Heptabladed beta-Propeller Tetrameric Structure.
J.Biol.Chem., 291, 2016
8TPW
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BU of 8tpw by Molmil
Crosslinked 6-deoxyerythronolide B synthase (DEBS) Module 3 in complex with antibody fragment 1B2: cis-oriented 1B2 and ACP
分子名称: Antibody Fragment 1B2, Heavy Chain, Light Chain, ...
著者Cogan, D.P, Soohoo, A.M, Chen, M, Brodsky, K.L, Liu, Y, Khosla, C.
登録日2023-08-05
公開日2024-08-07
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Structural Basis for Intermodular Communication in Assembly-Line Polyketide Biosynthesis
To Be Published
4HIW
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BU of 4hiw by Molmil
Crystal structure of R34/53A, H112W mutant of borna disease virus matrix protein
分子名称: Matrix protein
著者Dautel, P, Kolenko, P, Stubbs, M.T.
登録日2012-10-12
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Matrix protein variants provide support for alternative borna disease virus infection pathway
To be Published
7KUV
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BU of 7kuv by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Acetate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, PHOSPHATE ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2020-11-25
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献X-ray Crystallographic Snapshots of Substrate Binding in the Active Site of Histone Deacetylase 10.
Biochemistry, 60, 2021
3FOG
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BU of 3fog by Molmil
Crystal structure of the PX domain of sorting nexin-17 (SNX17)
分子名称: SODIUM ION, Sorting nexin-17
著者Wisniewska, M, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Siponen, M.I, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Schueler, H, Structural Genomics Consortium (SGC)
登録日2008-12-30
公開日2009-01-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the PX domain of sorting nexin-17 (SNX17)
TO BE PUBLISHED
7Q5R
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BU of 7q5r by Molmil
Protein community member pyruvate dehydrogenase complex E2 core from C. thermophilum
分子名称: Acetyltransferase component of pyruvate dehydrogenase complex
著者Chojnowski, G, Skalidis, I, Kyrilis, F.L, Tueting, C, Hamdi, F, Kastritis, P.L.
登録日2021-11-04
公開日2022-02-02
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Cryo-EM and artificial intelligence visualize endogenous protein community members.
Structure, 30, 2022

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