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7NWA
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CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND COMPOUND A
分子名称: 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
著者Hillig, R.C.
登録日2021-03-16
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NYA
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BU of 7nya by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR BAY-069 (COMPOUND 36)
分子名称: 3-[4-chloranyl-3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-5~{H}-pyrimidine-2,4-dione, Branched-chain-amino-acid aminotransferase, cytosolic, ...
著者Hillig, R.C.
登録日2021-03-22
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NWM
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BU of 7nwm by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 12
分子名称: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methoxy-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
著者Hillig, R.C.
登録日2021-03-17
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NWC
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BU of 7nwc by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND INHIBITOR COMPOUND 2
分子名称: 3-(5-chloranyl-2,4-dimethoxy-phenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione, Branched-chain-amino-acid aminotransferase, cytosolic, ...
著者Hillig, R.C.
登録日2021-03-16
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NXN
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BU of 7nxn by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 21(5-F)
分子名称: 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
著者Hillig, R.C.
登録日2021-03-19
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7NY2
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BU of 7ny2 by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 35
分子名称: 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-methylphenoxy)naphthalene-1-carbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
著者Hillig, R.C.
登録日2021-03-19
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
7OV0
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BU of 7ov0 by Molmil
Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in resting state at 0.95 Angstrom resolution
分子名称: GLYCEROL, PROLINE, SULFATE ION, ...
著者Rindfleisch, S, Rabe von Pappenheim, F.
登録日2021-06-14
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
1HDL
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BU of 1hdl by Molmil
LEKTI domain one
分子名称: SERINE PROTEINASE INHIBITOR LEKTI
著者Lauber, T, Roesch, P, Marx, U.C.
登録日2000-11-16
公開日2001-11-15
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Homologous Proteins with Different Folds: The Three-Dimensional Structures of Domains 1 and 6 of the Multiple Kazal-Type Inhibitor Lekti
J.Mol.Biol., 328, 2003
1H0Z
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BU of 1h0z by Molmil
LEKTI domain six
分子名称: SERINE PROTEASE INHIBITOR KAZAL-TYPE 5, CONTAINS HEMOFILTRATE PEPTIDE HF6478, HEMOFILTRATE PEPTIDE HF7665
著者Lauber, T, Roesch, P, Marx, U.C.
登録日2002-07-01
公開日2003-06-26
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Homologous Proteins with Different Folds: The Three-Dimensional Structures of Domains 1 and 6 of the Multiple Kazal-Type Inhibitor Lekti
J.Mol.Biol., 328, 2003
7Q1H
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BU of 7q1h by Molmil
Variant D312N of Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the substrate OMP at 1.31 Angstrom resolution
分子名称: OROTIDINE-5'-MONOPHOSPHATE, PROLINE, SULFATE ION, ...
著者Rabe von Pappenheim, F, Kirck, L.L.
登録日2021-10-20
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
5M96
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BU of 5m96 by Molmil
Synthesis and biological evaluation of new triazolo and imidazolopyridine RORgt inverse agonists
分子名称: Nuclear receptor ROR-gamma, ~{N}-[8-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide
著者Kallen, J.
登録日2016-10-31
公開日2016-12-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Synthesis and Biological Evaluation of New Triazolo- and Imidazolopyridine ROR gamma t Inverse Agonists.
ChemMedChem, 11, 2016
4C46
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BU of 4c46 by Molmil
ANDREI-N-LVPAS fused to GCN4 adaptors
分子名称: BROMIDE ION, GENERAL CONTROL PROTEIN GCN4
著者Albrecht, R, Alva, V, Ammelburg, M, Baer, K, Basina, E, Boichenko, I, Bonhoeffer, F, Braun, V, Chaubey, M, Chauhan, N, Chellamuthu, V.R, Coles, M, Deiss, S, Ewers, C.P, Forouzan, D, Fuchs, A, Groemping, Y, Hartmann, M.D, Hernandez Alvarez, B, Jeganantham, A, Kalev, I, Koenninger, U, Koiwai, K, Kopec, K.O, Korycinski, M, Laudenbach, B, Lehmann, K, Leo, J.C, Linke, D, Marialke, J, Martin, J, Mechelke, M, Michalik, M, Noll, A, Patzer, S.I, Scharfenberg, F, Schueckel, M, Shahid, S.A, Sulz, E, Ursinus, A, Wuertenberger, S, Zhu, H.
登録日2013-08-30
公開日2013-09-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Your Personalized Protein Structure: Andrei N. Lupas Fused to GCN4 Adaptors.
J.Struct.Biol., 186, 2014
8B0R
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BU of 8b0r by Molmil
Structure of the CalpL/cA4 complex
分子名称: Cyclic tetraadenosine monophosphate (cA4), SMODS-associated and fused to various effectors domain-containing protein, SULFATE ION, ...
著者Schneberger, N, Hagelueken, G.
登録日2022-09-08
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Antiviral signalling by a cyclic nucleotide activated CRISPR protease.
Nature, 614, 2023
8B0U
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BU of 8b0u by Molmil
Structure of the CalpL/T10 complex
分子名称: CalpT10, GLYCEROL, SAVED domain-containing protein, ...
著者Schneberger, N, Hagelueken, G.
登録日2022-09-08
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.29 Å)
主引用文献Antiviral signalling by a cyclic nucleotide activated CRISPR protease.
Nature, 614, 2023
3TPK
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BU of 3tpk by Molmil
Crystal structure of the oligomer-specific KW1 antibody fragment
分子名称: 1,2-ETHANEDIOL, BENZAMIDINE, Immunoglobulin heavy chain antibody variable domain KW1
著者Parthier, C, Morgado, I, Stubbs, M.T, Fandrich, M.
登録日2011-09-08
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Molecular basis of beta-amyloid oligomer recognition with a conformational antibody fragment.
Proc.Natl.Acad.Sci.USA, 109, 2012
5HBJ
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BU of 5hbj by Molmil
CDK8-CYCC IN COMPLEX WITH 8-[2-Amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)-pyridin-4-yl]-2,8-diaza-spiro[4.5]decan-1-one
分子名称: 1,2-ETHANEDIOL, 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, ...
著者Musil, D, Blagg, J, Mallinger, A.
登録日2015-12-31
公開日2016-02-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59, 2016
5MCQ
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BU of 5mcq by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE AND EXOSITE BINDING PEPTIDE INHIBITOR
分子名称: 1,2-ETHANEDIOL, BACE-1 ACTIVE AND EXOSITE BINDING INHIBITOR, Beta-secretase 1
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-11-10
公開日2017-09-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
5MBW
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BU of 5mbw by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH Pep#3
分子名称: BACE1 INHIBITOR PEPTIDE Pep#3, Beta-secretase 1, CHLORIDE ION
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-11-09
公開日2017-09-27
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
5MCO
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BU of 5mco by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE INHIBITOR GRL-8234 AND EXOSITE PEPTIDE
分子名称: BACE-1 EXOSITE PEPTIDE, Beta-secretase 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
著者Kuglstatter, A, Stihle, M, Benz, J.
登録日2016-11-10
公開日2017-09-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
7KDL
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BU of 7kdl by Molmil
SARS-CoV-2 D614G 1-RBD up Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-D614G)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2020-10-08
公開日2020-11-04
最終更新日2021-03-31
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献D614G Mutation Alters SARS-CoV-2 Spike Conformation and Enhances Protease Cleavage at the S1/S2 Junction.
Cell Rep, 34, 2021
7KE9
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BU of 7ke9 by Molmil
SARS-CoV-2 D614G 1-RBD-up Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-D614G sub-classification)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2020-10-10
公開日2020-11-04
最終更新日2021-03-31
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献D614G Mutation Alters SARS-CoV-2 Spike Conformation and Enhances Protease Cleavage at the S1/S2 Junction.
Cell Rep, 34, 2021
7KE6
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BU of 7ke6 by Molmil
SARS-CoV-2 D614G 3 RBD down Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-D614G sub-classification)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2020-10-10
公開日2020-11-04
最終更新日2021-03-31
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献D614G Mutation Alters SARS-CoV-2 Spike Conformation and Enhances Protease Cleavage at the S1/S2 Junction.
Cell Rep, 34, 2021
7KEB
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BU of 7keb by Molmil
SARS-CoV-2 D614G 1RBD up Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS-D614G sub-classification)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2020-10-10
公開日2020-11-04
最終更新日2021-03-31
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献D614G Mutation Alters SARS-CoV-2 Spike Conformation and Enhances Protease Cleavage at the S1/S2 Junction.
Cell Rep, 34, 2021
7KDI
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BU of 7kdi by Molmil
SARS-CoV-2 D614G 3 RBD down Spike Protein Trimer fully cleaved by furin without the P986-P987 stabilizing mutations (S-RRAR-D614G)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2020-10-08
公開日2020-11-04
最終更新日2021-03-31
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献D614G Mutation Alters SARS-CoV-2 Spike Conformation and Enhances Protease Cleavage at the S1/S2 Junction.
Cell Rep, 34, 2021
7KDH
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BU of 7kdh by Molmil
SARS-CoV-2 RBD up Spike Protein Trimer without the P986-P987 stabilizing mutations (S-GSAS)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2020-10-08
公開日2020-11-04
最終更新日2021-03-31
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献D614G Mutation Alters SARS-CoV-2 Spike Conformation and Enhances Protease Cleavage at the S1/S2 Junction.
Cell Rep, 34, 2021

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