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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)
Descriptor: 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
Authors:Watenpaugh, K.D, Mulichak, A.M, Janakiraman, M.N.
Deposit date:1996-03-04
Release date:1996-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, IODIDE ION, ...
Authors:Wohlwend, D.
Deposit date:2013-07-31
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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)
Descriptor: 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, ...
Authors:Bertoletti, N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
Deposit date:2020-11-19
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: Antibody Fragment 1B2, Heavy Chain, Light Chain, ...
Authors:Cogan, D.P, Soohoo, A.M, Chen, M, Brodsky, K.L, Liu, Y, Khosla, C.
Deposit date:2023-08-05
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Dipeptidyl-peptidase 1, ...
Authors:Molgaard, A, Arnau, J, Lauritzen, C, Larsen, S, Petersen, G, Pedersen, J.
Deposit date:2006-04-02
Release date:2006-11-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhang, J, Xiao, T.S, Cai, Y.F, Chen, B.
Deposit date:2020-10-25
Release date:2020-11-11
Last modified:2021-02-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: DECANE, RVRK, Tricorn protease
Authors:Kim, J.-S, Groll, M, Huber, R, Brandstetter, H.
Deposit date:2002-11-10
Release date:2002-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
Authors:Shin, M, Watson, E.R, Song, A.S, Mindrebo, J.T, Novick, S.R, Griffin, P, Wiseman, R.L, Lander, G.C.
Deposit date:2020-11-23
Release date:2020-12-09
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite: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
Descriptor: Phosphoacetylglucosamine mutase
Authors:Nishitani, Y, Maruyama, D, Nonaka, T, Kita, A, Fukami, T.A, Mio, T, Yamada-Okabe, H, Yamada-Okabe, T, Miki, K.
Deposit date:2006-04-07
Release date:2006-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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)
Descriptor: Microtubule-associated protein tau
Authors:Lovestam, S, Scheres, S.H.W.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite: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
Descriptor: 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, ...
Authors:Zhou, T, Morano, N.C, Roark, R.S, Kwong, P.D.
Deposit date:2023-08-03
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite: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.
Descriptor: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Englert, L, Heine, A, Klebe, G.
Deposit date:2008-12-05
Release date:2009-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite: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
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Newman, J.A, Cooper, C.D.O, Krojer, T, Shrestha, L, Burgess-brown, N, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O.
Deposit date:2013-08-30
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, Class-III preQ1 riboswitch
Authors:Srivastava, Y, Jenkins, J.L, Wedekind, J.E.
Deposit date:2023-08-04
Release date:2024-08-07
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 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', ...
Authors:Irimia, A, Egli, M.
Deposit date:2007-03-13
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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)
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Light-dependent transcriptional regulator CarH
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: Antibody heavy chain, Antibody light chain, POTASSIUM ION, ...
Authors:Cuello, L.G, Jogini, V, Cortes, D.M, Perozo, E.
Deposit date:2008-11-04
Release date:2010-05-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite: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
Descriptor: DUF2090 domain-containing protein
Authors:Lee, M.
Deposit date:2023-08-01
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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)
Descriptor: VP2
Authors:Luo, M, Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-13
Release date:2021-01-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite: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
Descriptor: GLYCEROL, PLL lectin, alpha-L-fucopyranose
Authors:Kumar, A, Sykorova, P, Demo, G, Dobes, P, Hyrsl, P, Wimmerova, M.
Deposit date:2015-06-28
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: Antibody Fragment 1B2, Heavy Chain, Light Chain, ...
Authors:Cogan, D.P, Soohoo, A.M, Chen, M, Brodsky, K.L, Liu, Y, Khosla, C.
Deposit date:2023-08-05
Release date:2024-08-07
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite: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
Descriptor: Matrix protein
Authors:Dautel, P, Kolenko, P, Stubbs, M.T.
Deposit date:2012-10-12
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-11-25
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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)
Descriptor: SODIUM ION, Sorting nexin-17
Authors: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)
Deposit date:2008-12-30
Release date:2009-01-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: Acetyltransferase component of pyruvate dehydrogenase complex
Authors:Chojnowski, G, Skalidis, I, Kyrilis, F.L, Tueting, C, Hamdi, F, Kastritis, P.L.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Cryo-EM and artificial intelligence visualize endogenous protein community members.
Structure, 30, 2022

223790

数据于2024-08-14公开中

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