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PDB: 52161 件
7LDY
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BU of 7ldy by Molmil
HIV-1 Protease WT (NL4-3) in Complex with TMC-126
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL [(1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE, Protease, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LE2
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HIV-1 Protease WT (NL4-3) in Complex with UMass4
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.971 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
4USS
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BU of 4uss by Molmil
Populus trichocarpa glutathione transferase X1-1 (GHR1), complexed with glutathione
分子名称: GLUTATHIONE, GLUTATHIONYL HYDROQUINONE REDUCTASE, PHOSPHATE ION
著者Lallement, P.A, Meux, E, Gualberto, J.M, Dumaracay, S, Favier, F, Didierjean, C, Saul, F, Haouz, A, Morel-Rouhier, M, Gelhaye, E, Rouhier, N, Hecker, A.
登録日2014-07-13
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Glutathionyl-Hydroquinone Reductases from Poplar are Plastidial Proteins that Deglutathionylate Both Reduced and Oxidized Glutathionylated Quinones.
FEBS Lett., 589, 2015
4UT4
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BU of 4ut4 by Molmil
Burkholderia pseudomallei heptokinase WcbL, D-mannose complex.
分子名称: CHLORIDE ION, PUTATIVE SUGAR KINASE, alpha-D-mannopyranose
著者Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
登録日2014-07-18
公開日2016-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
7LE0
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BU of 7le0 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with a Darunavir Derivative
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.952 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
4V51
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Structure of the Thermus thermophilus 70S ribosome complexed with mRNA, tRNA and paromomycin
分子名称: 16S ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Selmer, M, Dunham, C.M, Murphy, F.V, Weixlbaumer, A, Petry, S, Weir, J.R, Kelley, A.C, Ramakrishnan, V.
登録日2006-07-31
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the 70S ribosome complexed with mRNA and tRNA.
Science, 313, 2006
7LE1
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BU of 7le1 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass2
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
4UXO
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BU of 4uxo by Molmil
Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ...
著者Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C.
登録日2014-08-27
公開日2014-09-24
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (6.3 Å)
主引用文献Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins.
Elife, 3, 2014
7LDZ
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BU of 7ldz by Molmil
HIV-1 Protease WT (NL4-3) in Complex with GRL-98065
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE, Protease, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2021-01-14
公開日2022-07-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
4UZ5
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BU of 4uz5 by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM IV - 2.1A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, NOTUM
著者Zebisch, M, Jones, E.Y.
登録日2014-09-04
公開日2015-02-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
4V4R
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BU of 4v4r by Molmil
Crystal structure of the whole ribosomal complex.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Petry, S, Brodersen, D.E, Murphy IV, F.V, Dunham, C.M, Selmer, M, Tarry, M.J, Kelley, A.C, Ramakrishnan, V.
登録日2005-09-30
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (5.9 Å)
主引用文献Crystal Structures of the Ribosome in Complex with Release Factors RF1 and RF2 Bound to a Cognate Stop Codon.
Cell(Cambridge,Mass.), 123, 2005
7QAJ
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BU of 7qaj by Molmil
ZK002 with Anti-angiogenic and Anti-inflamamtory Properties
分子名称: SULFATE ION, Snaclec clone 2100755 alpha, Snaclec clone 2100755 beta
著者Wong, W.Y, Chan, B.D, Muk Lan Lee, M, Dai, X, Tsim, K.W.K, Hsiao, W.L.W, Li, M, Li, X.Y, Tai, W.C.S.
登録日2021-11-17
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Isolation and characterization of ZK002, a novel dual function snake venom protein from Deinagkistrodon acutus with anti-angiogenic and anti-inflammatory properties.
Front Pharmacol, 14, 2023
7LIE
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BU of 7lie by Molmil
The isolated chicken ASIC1a thumb domain (ATD-c1a) retains the structure and ligand binding properties of the full length chicken ASIC1a
分子名称: Acid-sensing ion channel 1
著者Mishra, B.M, Mobli, M.
登録日2021-01-27
公開日2022-08-10
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献A reductionist approach for studying the ASIC thumb domain to screen for channel modulators as novel therapeutic leads
To Be Published
4V7R
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Yeast 80S ribosome.
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者Ben-Shem, A, Jenner, L, Yusupova, G, Yusupov, M.
登録日2010-07-23
公開日2014-07-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal structure of the eukaryotic ribosome.
Science, 330, 2010
3KKT
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BU of 3kkt by Molmil
Crystal structure of human PDE4b with 5-[3-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyp henyl]tetrahydro-2(1H)-pyrimidinone reveals ordering of the C-terminal helix residues 502-509.
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one, MAGNESIUM ION, ...
著者Cheng, R.K.Y, Crawley, L, Barker, J, Whittaker, M.
登録日2009-11-06
公開日2009-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal structure of human PDE4b with 5-[3-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyp henyl]tetrahydro-2(1H)-pyrimidinone reveals ordering of the C-terminal helix residues 502-509.
To be Published
3KBG
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BU of 3kbg by Molmil
Crystal structure of the 30S ribosomal protein S4e from Thermoplasma acidophilum. Northeast Structural Genomics Consortium Target TaR28.
分子名称: 30S ribosomal protein S4e
著者Vorobiev, S.M, Su, M, Seetharaman, J, Belote, R.L, Ciccosanti, C, Patel, D, Liu, J, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2009-10-20
公開日2009-10-27
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the 30S ribosomal protein S4e from Thermoplasma acidophilum.
To be Published
3KBZ
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BU of 3kbz by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 6
分子名称: Fructose-1,6-bisphosphatase 1, {[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
著者Takahashi, M, Sone, J, Hanzawa, H.
登録日2009-10-20
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
7LU8
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BU of 7lu8 by Molmil
Structure of the cryptic HMA domain of the human copper transporter ATP7A
分子名称: Copper-transporting ATPase 1
著者Lee, W, Uhlemann, E.E, Tonelli, M, Dmitriev, O.Y.
登録日2021-02-21
公開日2021-09-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献At sixes and sevens: cryptic domain in the metal binding chain of the human copper transporter ATP7A.
Biophys.J., 120, 2021
4V8E
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BU of 4v8e by Molmil
Crystal structure analysis of ribosomal decoding (near-cognate tRNA-tyr complex).
分子名称: 16S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, 30S RIBOSOMAL PROTEIN S11, ...
著者Jenner, L, Demeshkina, N, Yusupov, M, Yusupova, G.
登録日2011-12-07
公開日2014-07-09
最終更新日2019-07-03
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A new understanding of the decoding principle on the ribosome.
Nature, 484, 2012
8CR1
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BU of 8cr1 by Molmil
Homo sapiens Get1/Get2 heterotetramer in complex with a Get3 dimer
分子名称: ATPase ASNA1, Guided entry of tail-anchored proteins factor CAMLG,Guided entry of tail-anchored proteins factor 1,GET2-GET1, ZINC ION
著者McDowell, M.A, Heimes, M, Wild, K, Sinning, I.
登録日2023-03-07
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献The GET insertase exhibits conformational plasticity and induces membrane thinning.
Nat Commun, 14, 2023
4WA6
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Structure of yeast SAGA DUBm with Sgf73 N59D mutant at 2.36 angstroms resolution
分子名称: SAGA-associated factor 11, SAGA-associated factor 73, Transcription and mRNA export factor SUS1, ...
著者Wolberger, C, Yan, M.
登録日2014-08-28
公開日2015-03-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure of yeast SAGA DUBm with Sgf73 N59D mutant at 2.36 angstroms resolution
To Be Published
3KNC
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BU of 3knc by Molmil
Crystal structure of the CeNA-RNA hybrid octamer ce(GCGTAGCG):r(CGCUACGC)
分子名称: 5'-D(*(XGR)P*(XCR)P*(XGR)P*(XTR)P*(XAR)P*(XGR)P*(XCR)P*(XGR)P*(XGR))-3', 5'-R(*CP*GP*CP*UP*AP*CP*GP*C)-3', MAGNESIUM ION
著者Ovaere, M, Van Meervelt, L.
登録日2009-11-12
公開日2010-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Crystal Structure of the CeNA:RNA Hybrid ce(GCGTAGCG):r(CGCUACGC).
Chemistry, 17, 2011
3KEM
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BU of 3kem by Molmil
Crystal structure of IspH:IPP complex
分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER
著者Groll, M, Graewert, T, Span, I, Eisenreich, W, Bacher, A.
登録日2009-10-26
公開日2010-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Probing the reaction mechanism of IspH protein by x-ray structure analysis.
Proc.Natl.Acad.Sci.USA, 107, 2010
4WD6
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BU of 4wd6 by Molmil
Crystal Structure of DIM-1 metallo-beta-lactamase
分子名称: Metallo-beta-lactamase, ZINC ION
著者Booth, M.P.S, Kosmopoulou, M, Spencer, J.
登録日2014-09-07
公開日2014-09-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of DIM-1 metallo-beta-lactamase
To Be Published
4WED
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BU of 4wed by Molmil
Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
分子名称: ABC transporter, periplasmic solute-binding protein, FORMIC ACID, ...
著者Shabalin, I.G, Otwinowski, Z, Bacal, P, Cymborowski, M.T, Handing, K.B, Stead, M, Hammonds, J, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-09-09
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
to be published

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