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6OXU
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BU of 6oxu by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-99
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6UBE
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BU of 6ube by Molmil
Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL
分子名称: AZIDE ION, GLYCEROL, Peptide LFRAL, ...
著者Toth, E.A, Bryan, P.N, Orban, J, Gallagher, D.T, Custer, G.
登録日2019-09-11
公開日2020-09-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
6OY2
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BU of 6oy2 by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-25
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXZ
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BU of 6oxz by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-20
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.961 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OYE
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BU of 6oye by Molmil
Crystal structure of Y99F mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2019-05-14
公開日2020-04-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Regulation of MIF Enzymatic Activity by an Allosteric Site at the Central Solvent Channel.
Cell Chem Biol, 27, 2020
6UC8
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BU of 6uc8 by Molmil
Guanine riboswitch bound to 8-aminoguanine
分子名称: 8-AMINOGUANINE, ACETATE ION, COBALT HEXAMMINE(III), ...
著者Matyjasik, M.M, Hall, S.D, Batey, R.T.
登録日2019-09-15
公開日2020-07-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献High Affinity Binding of N2-Modified Guanine Derivatives Significantly Disrupts the Ligand Binding Pocket of the Guanine Riboswitch.
Molecules, 25, 2020
4ZU6
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BU of 4zu6 by Molmil
Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus influenzae in complex with pre-reactive o-acetyl serine, alpha-aminoacrylate reaction intermediate and Peptide inhibitor at the resolution of 2.25A
分子名称: C-terminal peptide from Serine acetyltransferase, Cysteine synthase, O-ACETYLSERINE, ...
著者Ekka, M.K, Singh, A.K, Kaushik, A, Kumaran, S.
登録日2015-05-15
公開日2015-06-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus inuen-zae in complex with pre-reactive o-acetyl serine and peptide inhibitor
To Be Published
4ZU1
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BU of 4zu1 by Molmil
Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus influenzae in complex with O-acetyl serine and peptide inhibitor
分子名称: C-terminal peptide from Serine acetyltransferase, Cysteine synthase, GLYCEROL, ...
著者Ekka, M.K, Singh, A.K, Kaushik, A, Kumaran, S.
登録日2015-05-15
公開日2015-06-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus inuen-zae in complex with O-acetyl serine and peptide inhibitor
To Be Published
6OFL
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BU of 6ofl by Molmil
Crystal structure of green fluorescent protein (GFP); S65T, Y66(3-ClY); ih circular permutant (50-51)
分子名称: Green fluorescent protein (GFP); S65T, Y66(3-ClY); ih circular permutant (50-51)
著者Lin, C.-Y, Romei, M.G, Mathews, I.I, Boxer, S.G.
登録日2019-03-31
公開日2019-07-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Unified Model for Photophysical and Electro-Optical Properties of Green Fluorescent Proteins.
J.Am.Chem.Soc., 141, 2019
6OXW
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BU of 6oxw by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-100
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3
著者Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
登録日2019-05-14
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6TYX
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BU of 6tyx by Molmil
Structure of Ku80 von Willebrand domain S229A mutant complexed with XLF Ku Binding Motif
分子名称: LYS-GLY-LEU-PHE-MET, X-ray repair cross-complementing protein 5
著者Min, J, Pedersen, L.C.
登録日2019-08-09
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89944351 Å)
主引用文献Ligand binding characteristics of the Ku80 von Willebrand domain.
DNA Repair (Amst.), 85, 2019
6OZH
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BU of 6ozh by Molmil
Crystal structure of Ciona intestinalis (Ci) Endonuclease V in complex with a 24mer DNA containing an inosine followed by a ribo-adenosine
分子名称: CALCIUM ION, DNA/RNA (5'-D(P*CP*GP*GP*TP*AP*AP*CP*CP*GP*I)-R(P*A)-D(P*TP*AP*TP*GP*CP*AP*GP*CP*AP*TP*TP*TP*C)-3'), endonuclease V isoform X2
著者Samara, N.L, Yang, W.
登録日2019-05-15
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.026 Å)
主引用文献Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6UC9
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BU of 6uc9 by Molmil
Guanine riboswitch bound to O6-cyclohexylmethyl guanine
分子名称: 6-O-CYCLOHEXYLMETHYL GUANINE, ACETATE ION, COBALT HEXAMMINE(III), ...
著者Matyjasik, M.M, Batey, R.T.
登録日2019-09-15
公開日2020-07-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.941 Å)
主引用文献High Affinity Binding of N2-Modified Guanine Derivatives Significantly Disrupts the Ligand Binding Pocket of the Guanine Riboswitch.
Molecules, 25, 2020
6UCD
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BU of 6ucd by Molmil
The crystal structure of Staphylococcus aureus super antigen-like protein SSL10
分子名称: Exotoxin
著者Patel, D, Young, P.G, Bunker, R.D, Baker, E.N, Fraser, J.D.
登録日2019-09-16
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献The crystal structure of Staphylococcus aureus super antigen-like protein SSL10
To Be Published
6TYU
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BU of 6tyu by Molmil
Structure of Ku80 von Willebrand domain complexed with MRI Ku Binding Motif
分子名称: LYS-THR-ARG-VAL-LEU-PRO-SER-TRP-LEU-THR-ALA, X-ray repair cross-complementing protein 5
著者Min, J, Pedersen, L.C.
登録日2019-08-09
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.46862721 Å)
主引用文献Ligand binding characteristics of the Ku80 von Willebrand domain.
DNA Repair (Amst.), 85, 2019
6P2M
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BU of 6p2m by Molmil
Crystal structure of the Caldicellulosiruptor lactoaceticus GH74 (ClGH74a) enzyme in complex with LLG xyloglucan
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, GLYCEROL, ...
著者Stogios, P.J, Skarina, T, Arnal, G.
登録日2019-05-21
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74.
J.Biol.Chem., 294, 2019
6U7D
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BU of 6u7d by Molmil
Recombinant stem bromelain precursor
分子名称: FBSB
著者Yongqing, T, Pike, R.N, Wijeyewickrema, L.C.
登録日2019-09-02
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of a Recombinant Stem Bromelain Precursor
To be published
6OZI
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BU of 6ozi by Molmil
Crystal structure of Ciona intestinalis (Ci) Endonuclease V (D234N) in complex with a 23mer DNA containing an inosine followed by a ribo-adenosine
分子名称: DNA/RNA (23-MER), POTASSIUM ION, TRIETHYLENE GLYCOL, ...
著者Samara, N.L, Yang, W.
登録日2019-05-15
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6U50
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BU of 6u50 by Molmil
Anti-Sudan ebolavirus Nucleoprotein Single Domain Antibody Sudan B (SB)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Anti-Sudan ebolavirus Nucleoprotein Single Domain Antibody Sudan B (SB)
著者Taylor, A.B, Sherwood, L.J, Hart, P.J, Hayhurst, A.
登録日2019-08-26
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Paratope Duality and Gullying are Among the Atypical Recognition Mechanisms Used by a Trio of Nanobodies to Differentiate Ebolavirus Nucleoproteins.
J.Mol.Biol., 431, 2019
6U58
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BU of 6u58 by Molmil
Toho1 Beta Lactamase Glu166Gln Mutant
分子名称: Beta-lactamase, SULFATE ION
著者Langan, P.S, Sullivan, B, Weiss, K.L.
登録日2019-08-27
公開日2020-02-19
最終更新日2024-04-03
実験手法NEUTRON DIFFRACTION (1.9 Å), X-RAY DIFFRACTION
主引用文献Probing the Role of the Conserved Residue Glu166 in a Class A Beta-Lactamase Using Neutron and X-ray Protein Crystallography
Acta Crystallogr.,Sect.D, 76, 2020
6PLX
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BU of 6plx by Molmil
CryoEM structure of zebra fish alpha-1 glycine receptor bound with GABA in SMA, desensitized state
分子名称: GAMMA-AMINO-BUTANOIC ACID, Glycine receptor subunit alphaZ1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Yu, J, Zhu, H, Gouaux, E.
登録日2019-07-01
公開日2021-01-06
最終更新日2023-11-15
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
6P2H
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BU of 6p2h by Molmil
Structural basis for 2'-deoxyguanosine recognition by the 2'-dG-II class of riboswitches
分子名称: 2'-DEOXY-GUANOSINE, COBALT HEXAMMINE(III), MAGNESIUM ION, ...
著者Matyjasik, M.M, Batey, R.T.
登録日2019-05-21
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Structural basis for 2'-deoxyguanosine recognition by the 2'-dG-II class of riboswitches.
Nucleic Acids Res., 47, 2019
6PGT
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BU of 6pgt by Molmil
Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, vanadate bound state
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION
著者Cui, D.S, Lipchock, J.M, Loria, J.P.
登録日2019-06-24
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
6PH1
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T4 lysozyme pseudo-wild type soaked in TEMPOL
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Endolysin, ...
著者Cuneo, M.J, Myles, D.A, Li, L.
登録日2019-06-25
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.632 Å)
主引用文献Making hydrogens stand out: Enhanced neutron diffraction from biological crystals using dynamic nuclear polarization
To be published
6PHA
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Protein Tyrosine Phosphatase 1B (1-301), F182A mutant, vanadate bound state
分子名称: ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, ...
著者Cui, D.S, Lipchock, J.M, Loria, J.P.
登録日2019-06-25
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019

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