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6KKL
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BU of 6kkl by Molmil
Crystal structure of Drug:Proton Antiporter-1 (DHA1) Family SotB, in the inward conformation (H115N mutant)
分子名称: Sugar efflux transporter, nonyl beta-D-glucopyranoside
著者Xiao, Q.J, Sun, B, Zuo, Y.X, Guo, L, He, J.H, Deng, D.
登録日2019-07-26
公開日2020-07-29
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.654 Å)
主引用文献Visualizing the nonlinear changes of a drug-proton antiporter from inward-open to occluded state.
Biochem.Biophys.Res.Commun., 534, 2021
7LE3
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BU of 7le3 by Molmil
HIV-1 Protease WT (NL4-3) in Complex with UMass5
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzothiazol-6-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2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.87 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
2XPV
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BU of 2xpv by Molmil
TetR(D) in complex with minocycline and magnesium.
分子名称: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ...
著者Dalm, D, Proft, J, Palm, G.J, Hinrichs, W.
登録日2010-08-30
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Tetr(D) in Complex with Minocycline.
To be Published
5VIT
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BU of 5vit by Molmil
Crystal structure of a Pseudomonas malonate decarboxylase hetero-tetramer in complex with malonate
分子名称: MALONATE ION, MdcA, MdcC, ...
著者Maderbocus, R, Tong, L.
登録日2017-04-17
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Crystal structure of a Pseudomonas malonate decarboxylase holoenzyme hetero-tetramer.
Nat Commun, 8, 2017
7LE7
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HIV-1 Protease WT (NL4-3) in Complex with GS-8374
分子名称: DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, 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2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.978 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
7LED
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BU of 7led by Molmil
HIV-1 Protease WT (NL4-3) in Complex with PU4 (LR2-78)
分子名称: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)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, 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2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.996 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
2XS8
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BU of 2xs8 by Molmil
Crystal Structure of ALIX in complex with the SIVagmTan-1 AYDPARKLL Late Domain
分子名称: PROGRAMMED CELL DEATH 6-INTERACTING PROTEIN, SIVAGMTAN-1 GAG P6
著者Zhai, Q, Landesman, M, Robinson, H, Sundquist, W.I, Hill, C.P.
登録日2010-09-24
公開日2010-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.498 Å)
主引用文献Identification and Structural Characterization of the Alix-Binding Late Domains of Sivmac239 and Sivagmtan-1.
J.Virol., 85, 2011
7LK7
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Structure of the Exo-alpha-L-galactosidase BpGH29 from Bacteroides plebeius in complex with L-galactose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Exo-alpha-L-galactosidase, ...
著者Boraston, A.B, Robb, C.S.
登録日2021-02-01
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
6PXD
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BU of 6pxd by Molmil
CryoEM structure of zebra fish alpha-1 glycine receptor, Apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glycine receptor subunit alphaZ1
著者Du, J, Lu, W, Gouaux, E.
登録日2019-07-25
公開日2021-02-10
最終更新日2022-08-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Mechanism of gating and partial agonist action in the glycine receptor.
Cell, 184, 2021
2XN3
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Crystal structure of thyroxine-binding globulin complexed with mefenamic acid
分子名称: 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, THYROXINE-BINDING GLOBULIN
著者Qi, X, Yan, Y, Wei, Z, Zhou, A.
登録日2010-07-30
公開日2011-02-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Allosteric Modulation of Hormone Release from Thyroxine and Corticosteroid Binding-Globulins.
J.Biol.Chem., 286, 2011
7LJG
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Crystal Structure of Lectin from Dioclea altissima
分子名称: Lectin, MANGANESE (II) ION
著者Vieira-Neto, A.E, Pereira, H.M, Sousa, F.D, Goncalves, N.G.G, Vieira, N.C.G, Monteiro-Moreira, A.C.O, Moereira, R.A.
登録日2021-01-29
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal Structure of Lectin from Dioclea altissima
To Be Published
2XTJ
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The crystal structure of PCSK9 in complex with 1D05 Fab
分子名称: CALCIUM ION, FAB FROM A HUMAN MONOCLONAL ANTIBODY, 1D05, ...
著者Di Marco, S, Volpari, C, Carfi, A.
登録日2010-10-10
公開日2010-11-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Pcsk9-Binding Antibody that Structurally Mimics the Egf(A) Domain of Ldl-Receptor Reduces Ldl Cholesterol in Vivo.
J.Lipid Res., 52, 2011
2XPU
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BU of 2xpu by Molmil
TetR(D) in complex with anhydrotetracycline.
分子名称: 5A,6-ANHYDROTETRACYCLINE, CHLORIDE ION, SULFATE ION, ...
著者Dalm, D, Palm, G.J, Hinrichs, W.
登録日2010-08-30
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Tetracycline Repressor Allostery Does not Depend on Divalent Metal Recognition.
Biochemistry, 53, 2014
2XQB
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Crystal Structure of anti-IL-15 Antibody in Complex with human IL-15
分子名称: ANTI-IL-15 ANTIBODY, INTERLEUKIN 15, SULFATE ION
著者Lowe, D.C, Gerhardt, S, Ward, A, Hargreaves, D, Anderson, M, StGallay, S, Vousden, K, Ferraro, F, Pauptit, R.A, Cochrane, D, Pattison, D.V, Buchanan, C, Popovic, B, Finch, D.K, Wilkinson, T, Sleeman, M, Vaughan, T.J, Cruwys, S, Mallinder, P.R.
登録日2010-09-01
公開日2010-12-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering a High Affinity Anti-Il-15 Antibody: Crystal Structure Reveals an Alpha-Helix in Vh Cdr3 as Key Component of Paratope.
J.Mol.Biol., 406, 2011
2XTZ
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BU of 2xtz by Molmil
Crystal structure of the G alpha protein AtGPA1 from Arabidopsis thaliana
分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, CHLORIDE ION, GUANINE NUCLEOTIDE-BINDING PROTEIN ALPHA-1 SUBUNIT, ...
著者Jones, J.C, Duffy, J.W, Machius, M, Temple, B.R.S, Dohlman, H.G, Jones, A.M.
登録日2010-10-13
公開日2011-02-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献The Crystal Structure of a Self-Activating G Protein Alpha Subunit Reveals its Distinct Mechanism of Signal Initiation
Sci.Signal., 159, 2011
5VEJ
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BU of 5vej by Molmil
High resolution crystal structure of a fluoride-inhibited organo-phosphate-degrading metallohydrolase
分子名称: ACETATE ION, COBALT (II) ION, FLUORIDE ION, ...
著者Selleck, C.
登録日2017-04-04
公開日2017-07-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.301 Å)
主引用文献High resolution crystal structure of a fluoride-inhibited organophosphate-degrading metallohydrolase.
J. Inorg. Biochem., 177, 2017
7LKL
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The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.05 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
分子名称: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J.
登録日2021-02-02
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site, cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.05 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published
7LEB
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HIV-1 Protease WT (NL4-3) in Complex with PU2 (LR2-79)
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-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate
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2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.89 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
7LEH
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HIV-1 Protease WT (NL4-3) in Complex with PU9 (LR2-80)
分子名称: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)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, 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2022-01-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 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
5VFD
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Diazabicyclooctenone ETX2514 bound to Class D beta lactamase OXA-24 from A. baumannii
分子名称: (2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide, (2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide, Beta-lactamase, ...
著者Olivier, N.B, Lahiri, S.
登録日2017-04-07
公開日2017-06-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献ETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii.
Nat Microbiol, 2, 2017
2XVW
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Human serum albumin complexed with dansyl-L-arginine and myristic acid
分子名称: DANSYL-L-ARGININE, MYRISTIC ACID, SERUM ALBUMIN
著者Ghuman, J, Curry, S.
登録日2010-10-28
公開日2010-11-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
5VSW
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BU of 5vsw by Molmil
X-ray crystal structure of Escherichia coli RNA polymerase and DksA/ppGpp complex
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Murakami, K.S, Molodtsov, V.
登録日2017-05-12
公開日2017-06-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (4.295 Å)
主引用文献Allosteric Effector ppGpp Potentiates the Inhibition of Transcript Initiation by DksA.
Mol. Cell, 69, 2018
1ME0
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BU of 1me0 by Molmil
Chimeric hairpin with 2',5'-linked RNA loop and DNA stem
分子名称: DNA/RNA (5'-D(*GP*GP*AP*C)-R(P*(U25)P*(U25)P*(C25)P*(5GP))-D(P*GP*TP*CP*C)-3')
著者Denisov, A.Y, Hannoush, R.N, Gehring, K, Damha, M.J.
登録日2002-08-07
公開日2003-08-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A Novel RNA Motif Based on the Structure of Unusually Stable 2',5'-Linked r(UUCG) Loops
J.AM.CHEM.SOC., 125, 2003
1MFY
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BU of 1mfy by Molmil
SOLUTION STRUCTURE OF INFLUENZA A VIRUS C4 PROMOTER
分子名称: C4 promoter of influneza A virus
著者Lee, M.-K, Bae, S.-H, Park, C.-J, Cheong, H.-K, Cheong, C, Choi, B.-S.
登録日2002-08-14
公開日2002-09-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A single-nucleotide natural variation (U4 to C4) in an influenza A virus promoter exhibits a large structural change: implications for differential viral RNA synthesis by RNA-dependent RNA polymerase.
Nucleic Acids Res., 31, 2003
5VW8
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NADP+ soak of Y316S mutant of corn root ferredoxin:NADP+ reductase in alternate space group
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, MAGNESIUM ION, ...
著者Kean, K.M, Carpenter, R.A, Hall, A.R, Karplus, P.A.
登録日2017-05-21
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.808 Å)
主引用文献High-resolution studies of hydride transfer in the ferredoxin:NADP(+) reductase superfamily.
FEBS J., 284, 2017

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