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PDB: 89111 件
7MAE
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BU of 7mae by Molmil
HIV-1 Protease (I84V) in Complex with PU1 (LR3-46)
分子名称: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.735 Å)
主引用文献HIV-1 Protease in Complex with ligands
To Be Published
4Y3M
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BU of 4y3m by Molmil
Endothiapepsin in complex with fragment 103
分子名称: 2-(4-fluorophenyl)acetohydrazide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
7M9P
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BU of 7m9p by Molmil
HIV-1 Protease (I84V) in Complex with LR3-55
分子名称: Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.819 Å)
主引用文献HIV-1 Protease in Complex with ligands
To Be Published
7JPJ
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BU of 7jpj by Molmil
Crystal Structure of the essential dimeric LYSA from Phaeodactylum tricornutum
分子名称: D-LYSINE, Diaminopimelate decarboxylase, SULFATE ION
著者Fedorov, E, Belinski, V.A, Brunson, J.K, Almo, S.C, Dupont, C.L, Ghosh, A.
登録日2020-08-08
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献The Phaeodactylum tricornutum diaminopimelate decarboxylase was acquired via horizontal gene transfer from bacteria and displays substrate promiscuity
Biorxiv, 2020
4Y54
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BU of 4y54 by Molmil
Endothiapepsin in complex with fragment 56
分子名称: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
7JQ7
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BU of 7jq7 by Molmil
The Phi-28 gp11 DNA packaging Motor
分子名称: Encapsidation protein, IODIDE ION, SULFATE ION
著者Morais, M.C, White, M.A, Dill, E.
登録日2020-08-10
公開日2021-06-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.895 Å)
主引用文献Atomistic basis of force generation, translocation, and coordination in a viral genome packaging motor.
Nucleic Acids Res., 49, 2021
7M9I
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BU of 7m9i by Molmil
HIV-1 Protease (I84V) in Complex with LR2-26
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.817 Å)
主引用文献HIV-1 Protease (I84V) in Complex with LR2-26
To Be Published
6B7Q
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BU of 6b7q by Molmil
Crystal structure of Legionella effector protein sdeA (lpg2157) aa. 211-910
分子名称: MERCURY (II) ION, SdeA
著者Mao, Y, Akturk, A, Wasilko, J.
登録日2017-10-04
公開日2018-04-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of phosphoribosyl-ubiquitination mediated by a single Legionella effector.
Nature, 557, 2018
4RA4
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BU of 4ra4 by Molmil
Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one)
分子名称: (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Protein kinase C
著者Argiriadi, M.A, George, D.M.
登録日2014-09-09
公開日2014-10-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
7JQP
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BU of 7jqp by Molmil
The Phi-28 gp11 DNA packaging Motor
分子名称: Encapsidation protein, SULFATE ION
著者Morais, M.C, White, M.A, Dill, E.
登録日2020-08-11
公開日2021-06-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Atomistic basis of force generation, translocation, and coordination in a viral genome packaging motor.
Nucleic Acids Res., 49, 2021
5JYT
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BU of 5jyt by Molmil
NMR structure of foldswitch-stablized KaiB from Thermosynechococcus elongatus
分子名称: Circadian clock protein KaiB
著者Tseng, R.D, LiWang, A.L.
登録日2016-05-15
公開日2017-03-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of the day-night transition in a bacterial circadian clock.
Science, 355, 2017
7ASV
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BU of 7asv by Molmil
Crystal structure of tWHD2 of Rpc5 subunit of human RNA Polymerase III
分子名称: ACETATE ION, DNA-directed RNA polymerase III subunit RPC5
著者Vannini, A, Abascal-Palacios, G, Ramsay, E.P.
登録日2020-10-28
公開日2020-12-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of human RNA polymerase III.
Nat Commun, 11, 2020
7JQ6
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BU of 7jq6 by Molmil
The Phi-28 gp11 DNA packaging Motor
分子名称: Encapsidation protein, SULFATE ION
著者Morais, M.C, White, M.A, Dill, E.
登録日2020-08-10
公開日2021-06-16
最終更新日2021-07-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Atomistic basis of force generation, translocation, and coordination in a viral genome packaging motor.
Nucleic Acids Res., 49, 2021
6EPY
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BU of 6epy by Molmil
Structure of the PBP MelB (Atu4661) in complex with raffinose from A.fabrum C58
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Periplasmic alpha-galactoside-binding protein, ...
著者Morera, S, Vigouroux, A.
登録日2017-10-12
公開日2018-04-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The plant defense signal galactinol is specifically used as a nutrient by the bacterial pathogenAgrobacterium fabrum.
J. Biol. Chem., 293, 2018
6APM
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BU of 6apm by Molmil
Hen egg-white lysozyme (WT), solved with serial millisecond crystallography using synchrotron radiation
分子名称: Lysozyme C, SODIUM ION
著者Lyubimov, A.Y, Mathews, I.I, Uervivojnangkoorn, M, Soltis, S.M, Cohen, A.E.
登録日2017-08-17
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography.
Biochemistry, 56, 2017
4RCI
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BU of 4rci by Molmil
Crystal structure of YTHDF1 YTH domain
分子名称: UNKNOWN ATOM OR ION, YTH domain-containing family protein 1
著者Xu, C, Tempel, W, Liu, K, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2014-09-16
公開日2014-10-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Basis for the Discriminative Recognition of N6-Methyladenosine RNA by the Human YT521-B Homology Domain Family of Proteins.
J.Biol.Chem., 290, 2015
5K6P
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BU of 5k6p by Molmil
The NMR structure of the m domain tri-helix bundle and C2 of human cardiac Myosin Binding Protein C
分子名称: Myosin-binding protein C, cardiac-type
著者Michie, K.A, Kwan, A.H, Tung, C.S, Guss, J.M, Trewhella, J.
登録日2016-05-25
公開日2016-11-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A Highly Conserved Yet Flexible Linker Is Part of a Polymorphic Protein-Binding Domain in Myosin-Binding Protein C.
Structure, 24, 2016
7K76
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BU of 7k76 by Molmil
Crystal structure of MAD2-6 IgG Fab in complex with PfCSP N-terminal peptide.
分子名称: Heavy chain of MAD2-6 IgG Fab, Light chain of MAD2-6 IgG Fab, PfCSP N-terminal peptide P17
著者Pholcharee, T, Wilson, I.A.
登録日2020-09-22
公開日2021-06-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Functional human IgA targets a conserved site on malaria sporozoites.
Sci Transl Med, 13, 2021
6I9V
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BU of 6i9v by Molmil
Crystal structure of the halohydrin dehalogenase HheG T123G mutant
分子名称: Putative oxidoreductase
著者Kluenemann, T, Blankenfeldt, W, Schallmey, A.
登録日2018-11-26
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Position 123 of halohydrin dehalogenase HheG plays an important role in stability, activity, and enantioselectivity.
Sci Rep, 9, 2019
5JPX
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BU of 5jpx by Molmil
Solution structure of the TRIM21 B-box2 (B2)
分子名称: E3 ubiquitin-protein ligase TRIM21, ZINC ION
著者Wallenhammar, A, Anandapadamanaban, M, Sunnerhagen, M.
登録日2016-05-04
公開日2017-08-09
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution NMR structure of the TRIM21 B-box2 and identification of residues involved in its interaction with the RING domain.
PLoS ONE, 12, 2017
6S67
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BU of 6s67 by Molmil
Structure of the Fluorescent Protein AausFP1 from Aequorea cf. australis at pH 7.0
分子名称: Aequorea cf. australis fluorescent protein 1 (AausFP1), GLYCEROL
著者Depernet, H, Gotthard, G, Lambert, G.G, Shaner, N.C, Royant, A.
登録日2019-07-02
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Aequorea's secrets revealed: New fluorescent proteins with unique properties for bioimaging and biosensing.
Plos Biol., 18, 2020
7JVD
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BU of 7jvd by Molmil
Fab of 5.6 monoclonal mouse IgG1 co-crystallized with the trisaccharide form of serotype 3 pneumococcal capsular polysaccharide
分子名称: 5.6 Fab heavy chain, 5.6 Fab light chain, beta-D-glucopyranose-(1-3)-beta-D-glucopyranuronic acid-(1-4)-beta-D-glucopyranose
著者Ozdilek, A, Huang, J, Paschall, A.V, Babb, R, Middleton, D.R, Duke, J.A, Pirofski, L, Mousa, J.J, Avci, F.Y.
登録日2020-08-20
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Structural Model for the Ligand Binding of Pneumococcal Serotype 3 Capsular Polysaccharide-Specific Protective Antibodies.
Mbio, 12, 2021
6ERJ
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BU of 6erj by Molmil
Self-complemented FimA subunit from Salmonella enterica
分子名称: ACETIC ACID, Type-1 fimbrial protein, a chain
著者Zyla, D.S, Prota, A, Capitani, G, Glockshuber, R.
登録日2017-10-18
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Alternative folding to a monomer or homopolymer is a common feature of the type 1 pilus subunit FimA from enteroinvasive bacteria.
J.Biol.Chem., 294, 2019
5GVL
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BU of 5gvl by Molmil
Plasmodium vivax SHMT bound with PLP-glycine and GS182
分子名称: (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G.
登録日2016-09-06
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures
J. Med. Chem., 60, 2017
7MA0
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BU of 7ma0 by Molmil
HIV-1 Protease (I84V) in Complex with LR2-91
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-04-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献HIV-1 Protease (I84V) in Complex with LR2-91
To Be Published

224931

件を2024-09-11に公開中

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