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7PBZ
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BU of 7pbz by Molmil
a1b3 GABA-A receptor + GABA + Zn2+
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ...
Authors:Miller, P.S, Kasaragod, V.B.
Deposit date:2021-08-03
Release date:2022-02-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors.
Nature, 602, 2022
7PC0
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BU of 7pc0 by Molmil
GABA-A receptor bound by a-Cobratoxin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-cobratoxin, ...
Authors:Kasaragod, V.B, Miller, P.S.
Deposit date:2021-08-03
Release date:2022-02-09
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors.
Nature, 602, 2022
7PBD
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BU of 7pbd by Molmil
a1b3 GABA-A receptor + GABA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
Authors:Miller, P.S, Kasaragod, V.B.
Deposit date:2021-08-02
Release date:2022-02-09
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors.
Nature, 602, 2022
7QPD
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BU of 7qpd by Molmil
Structure of the human MHC I peptide-loading complex editing module
Descriptor: Beta-2-microglobulin, Calreticulin, HLA class I histocompatibility antigen, ...
Authors:Domnick, A, Susac, L, Trowitzsch, S, Thomas, C, Tampe, R.
Deposit date:2022-01-03
Release date:2022-07-20
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Molecular basis of MHC I quality control in the peptide loading complex.
Nat Commun, 13, 2022
3CHS
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BU of 3chs by Molmil
Crystal structure of leukotriene A4 hydrolase in complex with (2S)-2-amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid
Descriptor: (2S)-2-amino-5-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]phenyl]amino]-5-oxo-pentanoic acid, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
Deposit date:2008-03-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
5D9S
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BU of 5d9s by Molmil
Structure of HLA-A2:01 with the 11-mer peptide F11V
Descriptor: 11-mer peptide F11V, Beta-2-microglobulin, GLYCEROL, ...
Authors:Remesh, S.G, Zajonc, D.M.
Deposit date:2015-08-19
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Toxoplasma gondii peptide ligands open the gate of the HLA class I binding groove.
Elife, 5, 2016
4HWK
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BU of 4hwk by Molmil
Crystal structure of human sepiapterin reductase in complex with sulfapyridine
Descriptor: 4-amino-N-(pyridin-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Groenlund Pedersen, M, Pojer, F, Johnsson, K.
Deposit date:2012-11-08
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs.
Science, 340, 2013
7ZXW
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BU of 7zxw by Molmil
Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with the 5-[(morpholin-4-yl)methyl]quinolin-8-ol inhibitor
Descriptor: 5-(morpholin-4-ylmethyl)quinolin-8-ol, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Le Cornu, J.D, Ibba, R, Roversi, P, Zitzmann, N.
Deposit date:2022-05-23
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Crystal polymorphism in fragment-based lead discovery of ligands of the catalytic domain of UGGT, the glycoprotein folding quality control checkpoint.
Front Mol Biosci, 9, 2022
4BEW
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BU of 4bew by Molmil
SERCA bound to phosphate analogue
Descriptor: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, ACETATE ION, MAGNESIUM ION, ...
Authors:Drachmann, N.D, Mattle, D, Laursen, M, Bublitz, M, Olesen, C, Moeller, J.V, Nissen, P, Morth, J.P.
Deposit date:2013-03-12
Release date:2014-02-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Serca Bound to Phosphate Analogue
To be Published
5DN4
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BU of 5dn4 by Molmil
Structure of the glycoside hydrolase domain from Salmonella typhimurium FlgJ
Descriptor: CHLORIDE ION, IODIDE ION, Peptidoglycan hydrolase FlgJ
Authors:Zaloba, P, Bailey-Elkin, B.A, Mark, B.L.
Deposit date:2015-09-09
Release date:2016-02-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Insights into the Peptidoglycan Hydrolase Domain of FlgJ from Salmonella typhimurium.
Plos One, 11, 2016
4OXF
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BU of 4oxf by Molmil
Structure of ECP in complex with citrate ions at 1.50 Angstroms
Descriptor: CITRIC ACID, Eosinophil cationic protein, FE (III) ION
Authors:Blanco, J.A, Boix, E, Moussaoui, M, Salazar, V.A.
Deposit date:2014-02-05
Release date:2015-03-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of ECP in complex with citrate ions at 1.50 Angstroms
To be published
3CHP
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BU of 3chp by Molmil
Crystal structure of leukotriene a4 hydrolase in complex with (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid
Descriptor: (3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid, ACETATE ION, IMIDAZOLE, ...
Authors:Thunnissen, M.M.G.M, Adler, M, Whitlow, M.
Deposit date:2008-03-10
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.
Bioorg.Med.Chem., 16, 2008
5DDH
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BU of 5ddh by Molmil
Structure of HLA-A2:01 with the 12-mer peptide F12K
Descriptor: 12-mer peptide F12K, Beta-2-microglobulin, GLYCEROL, ...
Authors:Remesh, S.G, Zajonc, D.
Deposit date:2015-08-24
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Toxoplasma gondii peptide ligands open the gate of the HLA class I binding groove.
Elife, 5, 2016
7XLF
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BU of 7xlf by Molmil
Crystal structure of CH3-THF complex of methylenetetrahydrofolate reductase from Sphingobium sp. SYK-6
Descriptor: 5,10-methylenetetrahydrofolate reductase, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Yu, H.Y, Senda, M, Senda, T.
Deposit date:2022-04-21
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structural of methylenetetrahydrofolate reductase from Sphingobium sp. SYK-6
To Be Published
7XG9
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BU of 7xg9 by Molmil
Crystal structural of methylenetetrahydrofolate reductase from Sphingobium sp. SYK-6
Descriptor: 5,10-methylenetetrahydrofolate reductase, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Yu, H.Y, Senda, M, Senda, T.
Deposit date:2022-04-04
Release date:2023-04-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structural of methylenetetrahydrofolate reductase from Sphingobium sp. SYK-6
To Be Published
4J7U
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BU of 4j7u by Molmil
Crystal structure of human sepiapterin reductase in complex with sulfathiazole
Descriptor: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Groenlund Pedersen, M, Pojer, F, Johnsson, K.
Deposit date:2013-02-14
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs.
Science, 340, 2013
1FO0
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BU of 1fo0 by Molmil
MURINE ALLOREACTIVE SCFV TCR-PEPTIDE-MHC CLASS I MOLECULE COMPLEX
Descriptor: NATURALLY PROCESSED OCTAPEPTIDE PBM1, PROTEIN (ALLOGENEIC H-2KB MHC CLASS I MOLECULE), PROTEIN (BETA-2 MICROGLOBULIN), ...
Authors:Reiser, J.B, Darnault, C, Guimezanes, A, Gregoire, C, Mosser, T, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Malissen, B, Housset, D, Mazza, G.
Deposit date:2000-08-24
Release date:2000-10-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a T cell receptor bound to an allogeneic MHC molecule.
Nat.Immunol., 1, 2000
3T3P
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BU of 3t3p by Molmil
A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2011-07-25
Release date:2012-03-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS
Sci Transl Med, 4, 2012
6I0I
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BU of 6i0i by Molmil
Structure of the streptomyces subtilisin and TAMP inhibitor (SSTI)
Descriptor: Transglutaminase-activating metalloprotease inhibitor
Authors:Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A.
Deposit date:2018-10-26
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.448 Å)
Cite:The N-terminal peptide of the transglutaminase-activating metalloprotease inhibitor from Streptomyces mobaraensis accommodates both inhibition and glutamine cross-linking sites.
Febs J., 287, 2020
6SCG
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BU of 6scg by Molmil
Structure of AdhE form 1
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Aldehyde-alcohol dehydrogenase, ...
Authors:Lovering, A.L, Bragginton, E.
Deposit date:2019-07-24
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High-resolution structure of the alcohol dehydrogenase domain of the bifunctional bacterial enzyme AdhE.
Acta Crystallogr.,Sect.F, 76, 2020
7JVN
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BU of 7jvn by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Compound 24
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-[(2,3-dichlorophenyl)sulfanyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.917 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
6SCI
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BU of 6sci by Molmil
Structure of AdhE form 1
Descriptor: Aldehyde-alcohol dehydrogenase, FE (III) ION
Authors:Lovering, A.L, Bragginton, E.
Deposit date:2019-07-24
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High-resolution structure of the alcohol dehydrogenase domain of the bifunctional bacterial enzyme AdhE.
Acta Crystallogr.,Sect.F, 76, 2020
6H41
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BU of 6h41 by Molmil
Structure of the complex of the IL-5 inhibitory peptide AF17121 bound to the IL-5 receptor IL-5Ralpha
Descriptor: Interleukin-5 receptor subunit alpha, VAL-ASP-GLU-CYS-TRP-ARG-ILE-ILE-ALA-SER-HIS-THR-TRP-PHE-CYS-ALA-GLU-GLU
Authors:Mueller, T.D, Scheide, J.P.
Deposit date:2018-07-20
Release date:2018-12-26
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis of Interleukin-5 Inhibition by the Small Cyclic Peptide AF17121.
J. Mol. Biol., 431, 2019
7JVM
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BU of 7jvm by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor TNO155
Descriptor: (3S,4S)-8-{6-amino-5-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2020-08-21
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Identification of TNO155, an Allosteric SHP2 Inhibitor for the Treatment of Cancer.
J.Med.Chem., 63, 2020
4LWD
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BU of 4lwd by Molmil
Human CARMA1 CARD domain
Descriptor: Caspase recruitment domain-containing protein 11, MAGNESIUM ION, SULFATE ION
Authors:Zheng, C, Wu, H.
Deposit date:2013-07-26
Release date:2013-10-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Structural Architecture of the CARMA1/Bcl10/MALT1 Signalosome: Nucleation-Induced Filamentous Assembly.
Mol.Cell, 51, 2013

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数据于2024-07-31公开中

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