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7M6O
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BU of 7m6o by Molmil
Full length alpha1 Glycine receptor in presence of 0.1mM Glycine and 32uM Tetrahydrocannabinol
Descriptor: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, ...
Authors:Kumar, A, Chakrapani, S.
Deposit date:2021-03-26
Release date:2022-08-03
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Nat Commun, 13, 2022
5AGM
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BU of 5agm by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-oxoacetimidamido)pentanoic acid
Descriptor: (S)-2-AMINO-5-(2-OXOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
7M6P
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BU of 7m6p by Molmil
Full length alpha1 Glycine receptor in presence of 1mM Glycine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alphaZ1
Authors:Kumar, A, Chakrapani, S.
Deposit date:2021-03-26
Release date:2022-08-03
Last modified:2022-09-07
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structural basis for cannabinoid-induced potentiation of alpha1-glycine receptors in lipid nanodiscs.
Nat Commun, 13, 2022
5AGN
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BU of 5agn by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-hydroxyacetimidamido)pentanoic acid
Descriptor: (S)-2-AMINO-5-(2-HYDROXYACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
6M66
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BU of 6m66 by Molmil
The Cryo-EM Structure of Human Pannexin 1
Descriptor: Pannexin-1
Authors:Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
Deposit date:2020-03-13
Release date:2020-04-15
Last modified:2020-05-13
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6M68
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BU of 6m68 by Molmil
The Cryo-EM Structure of Human Pannexin 1 in the Presence of CBX
Descriptor: Pannexin-1
Authors:Jin, Q, Bo, Z, Xiang, Z, Xiaokang, Z, Ye, S.
Deposit date:2020-03-13
Release date:2020-04-15
Last modified:2020-05-13
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM structures of human pannexin 1 channel.
Cell Res., 30, 2020
6J4B
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BU of 6j4b by Molmil
Crystal structure of MarH, an epimerase for biosynthesis of Maremycins in Streptomyces, under 400 mM Zinc acetate
Descriptor: ACETIC ACID, Cupin superfamily protein, GLYCEROL, ...
Authors:Hou, Y, Liu, B, Hu, K, Zhang, R.
Deposit date:2019-01-08
Release date:2020-01-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural basis of the mechanism of beta-methyl epimerization by enzyme MarH.
Org.Biomol.Chem., 17, 2019
5AGL
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BU of 5agl by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid
Descriptor: (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGK
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BU of 5agk by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (2S)-2-Amino-5-(2-(methylsulfinyl)acetimidamido) pentanoic acid
Descriptor: (2S)-2-AMINO-5-(2-(METHYLSULFINYL)ACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
1FOC
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BU of 1foc by Molmil
Cytochrome C557: improperly folded thermus thermophilus C552
Descriptor: CYTOCHROME RC557, HEME C
Authors:McRee, D.E, Williams, P.A, Fee, J.A, Bren, K.L.
Deposit date:2000-08-27
Release date:2000-11-08
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Recombinant cytochrome rC557 obtained from Escherichia coli cells expressing a truncated Thermus thermophilus cycA gene. Heme inversion in an improperly matured protein
J.Biol.Chem., 276, 2001
4JO3
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BU of 4jo3 by Molmil
Crystal structure of rabbit mAb R20 Fab in complex with V3 C-terminus of HIV-1 Consensus B gp120
Descriptor: SULFATE ION, gp120, monoclonal anti-HIV-1 gp120 V3 antibody R20 heavy chain, ...
Authors:Pan, R.M, Kong, X.P.
Deposit date:2013-03-16
Release date:2013-07-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Rabbit Anti-HIV-1 Monoclonal Antibodies Raised by Immunization Can Mimic the Antigen-Binding Modes of Antibodies Derived from HIV-1-Infected Humans.
J.Virol., 87, 2013
4JO4
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BU of 4jo4 by Molmil
Crystal structure of rabbit mAb R20 Fab
Descriptor: PENTAETHYLENE GLYCOL, SULFATE ION, monoclonal anti-HIV-1 gp120 V3 antibody R20 heavy chain, ...
Authors:Pan, R.M, Kong, X.P.
Deposit date:2013-03-16
Release date:2013-07-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Rabbit Anti-HIV-1 Monoclonal Antibodies Raised by Immunization Can Mimic the Antigen-Binding Modes of Antibodies Derived from HIV-1-Infected Humans.
J.Virol., 87, 2013
6BQK
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BU of 6bqk by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 18)
Descriptor: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide, NS3 protease, ZINC ION
Authors:Klei, H.E, Sack, J.S.
Deposit date:2017-11-28
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
6LBM
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BU of 6lbm by Molmil
Crystal Structure of FOXC2-DBD bound to a palindromic DNA sequence
Descriptor: Forkhead box protein C2, IRE0, MAGNESIUM ION
Authors:Li, J, Dai, S.Y.
Deposit date:2019-11-14
Release date:2021-02-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.841 Å)
Cite:Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
6LBI
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BU of 6lbi by Molmil
Crystal Structure of FOXO1-DBD homodimer bound to a palindromic DNA sequence
Descriptor: Forkhead box protein O1, IRE0
Authors:Li, J, Dai, S.Y, Chen, Y.H.
Deposit date:2019-11-14
Release date:2021-02-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.067 Å)
Cite:Mechanism of forkhead transcription factors binding to a novel palindromic DNA site.
Nucleic Acids Res., 49, 2021
5AGO
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BU of 5ago by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid
Descriptor: (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
5AGP
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BU of 5agp by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid
Descriptor: (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2015-02-02
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
3QWB
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BU of 3qwb by Molmil
Crystal structure of Saccharomyces cerevisiae Zeta-crystallin-like quinone oxidoreductase Zta1 complexed with NADPH
Descriptor: GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable quinone oxidoreductase
Authors:Guo, P.C, Ma, X.X, Bao, Z.Z, Chen, Y.X, Zhou, C.Z.
Deposit date:2011-02-28
Release date:2012-02-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural insights into the cofactor-assisted substrate recognition of yeast quinone oxidoreductase Zta1
J.Struct.Biol., 176, 2011
6BQJ
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BU of 6bqj by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 16)
Descriptor: ACETATE ION, CHLORIDE ION, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, ...
Authors:Klei, H.E, Sack, J.S.
Deposit date:2017-11-28
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
6KI0
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BU of 6ki0 by Molmil
Crystal Structure of Human ASC-CARD
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Xu, Z.H, Jin, T.C.
Deposit date:2019-07-16
Release date:2020-07-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Homotypic CARD-CARD interaction is critical for the activation of NLRP1 inflammasome.
Cell Death Dis, 12, 2021
6BZ9
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BU of 6bz9 by Molmil
Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK
Descriptor: Ac-FLTD-CMK, Caspase-1, DI(HYDROXYETHYL)ETHER
Authors:Xiao, T.S, Yang, J, Liu, Z, Wang, C, Yang, R.
Deposit date:2017-12-22
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Mechanism of gasdermin D recognition by inflammatory caspases and their inhibition by a gasdermin D-derived peptide inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6MV5
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BU of 6mv5 by Molmil
Anti-PCSK9 fab 6E2 bound to the N-terminal peptide from PCSK9 (E32K)
Descriptor: Anti-PCSK9 fab 6E2 heavy chain, Anti-PCSK9 fab 6E2 light chain, CHLORIDE ION, ...
Authors:Ultsch, M.H, Kirchhofer, D.K.
Deposit date:2018-10-24
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of a Helical Segment within the Intrinsically Disordered Region of the PCSK9 Prodomain.
J. Mol. Biol., 431, 2019
3RX4
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BU of 3rx4 by Molmil
Crystal Structure of Human Aldose Reductase complexed with Sulindac Sulfide
Descriptor: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-10
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
3RX2
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BU of 3rx2 by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Sulindac Sulfone
Descriptor: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-10
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase
Febs Lett., 586, 2012
3RX3
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BU of 3rx3 by Molmil
Crystal Structure of Human Aldose Reductase Complexed with Sulindac
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
Authors:Zheng, X, Chen, J, Luo, H, Hu, X.
Deposit date:2011-05-10
Release date:2011-11-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012

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