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6Z10
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BU of 6z10 by Molmil
Crystal structure of a humanized (K18E, K269N) rat succinate receptor SUCNR1 (GPR91) in complex with a nanobody and antagonist
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid, CHLORIDE ION, ...
著者Haffke, M, Villard, F.
登録日2020-05-11
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.269 Å)
主引用文献Discovery and Optimization of Novel SUCNR1 Inhibitors: Design of Zwitterionic Derivatives with a Salt Bridge for the Improvement of Oral Exposure.
J.Med.Chem., 63, 2020
3FBX
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BU of 3fbx by Molmil
Crystal structure of the lysosomal 66.3 kDa protein from mouse solved by S-SAD
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, ACETATE ION, ...
著者Lakomek, K, Dickmanns, A, Mueller, U, Ficner, R.
登録日2008-11-20
公開日2009-03-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De novo sulfur SAD phasing of the lysosomal 66.3 kDa protein from mouse
Acta Crystallogr.,Sect.D, 65, 2009
5BNJ
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BU of 5bnj by Molmil
CDK8/CYCC IN COMPLEX WITH 8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyridin- 4-yl}-2,8-diaza-spiro[4.5]decan-1-one
分子名称: 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, Cyclin-dependent kinase 8, ...
著者Musil, D, Blagg, J, Wienke, D.
登録日2015-05-26
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.
Nat.Chem.Biol., 11, 2015
6Q7A
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BU of 6q7a by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 4 AT 2.2A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole, Nuclear receptor ROR-gamma
著者Kallen, J.
登録日2018-12-13
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6FZU
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BU of 6fzu by Molmil
RORGT (264-518;C455S) IN COMPLEX WITH THE FRAGMENT ("CPD-1") AND RIP140 PEPTIDE AT 1.80A
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1, ~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide
著者Kallen, J.
登録日2018-03-15
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.
J. Med. Chem., 61, 2018
6Q6O
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BU of 6q6o by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 2 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: CHOLIC ACID, Nuclear receptor ROR-gamma, propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate
著者Kallen, J.
登録日2018-12-11
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6Q7H
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BU of 6q7h by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 9 AT 2.3A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid, Nuclear receptor ROR-gamma
著者Kallen, J.
登録日2018-12-13
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6G07
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BU of 6g07 by Molmil
RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-9" AND RIP140 PEPTIDE AT 1.66A
分子名称: Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1, ~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide
著者Kallen, J.
登録日2018-03-16
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.
J. Med. Chem., 61, 2018
6Q6M
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BU of 6q6m by Molmil
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 1: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors
分子名称: Nuclear receptor ROR-gamma, ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate
著者Kallen, J.
登録日2018-12-11
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based and Property-Driven Optimization ofN-Aryl Imidazoles toward Potent and Selective Oral ROR gamma t Inhibitors.
J.Med.Chem., 62, 2019
6G05
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BU of 6g05 by Molmil
RORGT (264-518;C455S) IN COMPLEX WITH INVERSE AGONIST "CPD-2" AND RIP140 PEPTIDE AT 1.90A
分子名称: 2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1
著者Kallen, J.
登録日2018-03-16
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimizing a Weakly Binding Fragment into a Potent ROR gamma t Inverse Agonist with Efficacy in an in Vivo Inflammation Model.
J. Med. Chem., 61, 2018
5N12
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BU of 5n12 by Molmil
Crystal structure of TCE treated rPPEP-1
分子名称: 2,2,2-tris-chloroethanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ...
著者Pichlo, C, Schacherl, M, Baumann, U.
登録日2017-02-04
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer.
Acta Crystallogr F Struct Biol Commun, 74, 2018
7LG6
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BU of 7lg6 by Molmil
BG505 SOSIP.v5.2 in complex with VRC40.01 and RM19R Fabs
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, Envelope glycoprotein gp120, ...
著者Cottrell, C.A, Torres, J.L, Wu, N.R, Ward, A.B.
登録日2021-01-19
公開日2021-09-15
最終更新日2021-11-17
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Structural basis of glycan276-dependent recognition by HIV-1 broadly neutralizing antibodies.
Cell Rep, 37, 2021
1YNA
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BU of 1yna by Molmil
ENDO-1,4-BETA-XYLANASE, ROOM TEMPERATURE, PH 4.0
分子名称: ENDO-1,4-BETA-XYLANASE
著者Gruber, K, Kratky, C.
登録日1996-08-22
公開日1997-02-12
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Thermophilic xylanase from Thermomyces lanuginosus: high-resolution X-ray structure and modeling studies.
Biochemistry, 37, 1998
6ZHY
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BU of 6zhy by Molmil
Cryo-EM structure of the regulatory linker of ALC1 bound to the nucleosome's acidic patch: hexasome class.
分子名称: Chromodomain-helicase-DNA-binding protein 1-like, DNA (110-MER) Widom 601 sequence, Histone H2A type 1, ...
著者Bacic, L, Gaullier, G, Deindl, S.
登録日2020-06-24
公開日2020-12-23
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Mechanistic Insights into Regulation of the ALC1 Remodeler by the Nucleosome Acidic Patch.
Cell Rep, 33, 2020
6ZHX
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BU of 6zhx by Molmil
Cryo-EM structure of the regulatory linker of ALC1 bound to the nucleosome's acidic patch: nucleosome class.
分子名称: Chromodomain-helicase-DNA-binding protein 1-like, DNA (145-MER) Widom 601 sequence, Histone H2A type 1, ...
著者Bacic, L, Gaullier, G, Croll, T.I, Deindl, S.
登録日2020-06-24
公開日2020-12-23
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Mechanistic Insights into Regulation of the ALC1 Remodeler by the Nucleosome Acidic Patch.
Cell Rep, 33, 2020
1KNU
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BU of 1knu by Molmil
LIGAND BINDING DOMAIN OF THE HUMAN PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA IN COMPLEX WITH A SYNTHETIC AGONIST
分子名称: (S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY-PROPIONIC ACID, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA
著者Svensson, L.A, Mortensen, S.B, Fleckner, J, Woeldike, H.F.
登録日2001-12-19
公開日2002-12-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel tricyclic-alpha-alkyloxyphenylpropionic acids: dual PPARalpha/gamma agonists with hypolipidemic and antidiabetic activity
J.MED.CHEM., 45, 2002
3RBX
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BU of 3rbx by Molmil
MthK RCK domain D184N mutant, Ca2+-bound
分子名称: CALCIUM ION, Calcium-gated potassium channel mthK
著者Samakai, E, Rothberg, B.S.
登録日2011-03-30
公開日2011-10-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of multiple Ca2+-binding sites in a K+ channel RCK domain
Proc.Natl.Acad.Sci.USA, 2011
3RBZ
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BU of 3rbz by Molmil
MthK channel, Ca2+-bound
分子名称: CALCIUM ION, Calcium-gated potassium channel mthK
著者Taylor, A.B, Parfenova, L.V, Rothberg, B.S.
登録日2011-03-30
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structures of multiple Ca2+-binding sites in a K+ channel RCK domain
Proc.Natl.Acad.Sci.USA, 2011
6GX3
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BU of 6gx3 by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 1
分子名称: 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-06-26
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
6GXU
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BU of 6gxu by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3
分子名称: (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-06-27
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.917 Å)
主引用文献Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
6GXW
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BU of 6gxw by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 4
分子名称: (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Shaik, T.B, Marek, M, Romier, C.
登録日2018-06-27
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.071 Å)
主引用文献Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis.
ChemMedChem, 13, 2018
1ZWD
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BU of 1zwd by Molmil
STRUCTURE OF HUMAN PARATHYROID HORMONE FRAGMENT 3-37, NMR, 10 STRUCTURES
分子名称: PARATHYROID HORMONE
著者Roesch, P, Marx, U.C.
登録日1996-06-17
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure-activity relation of NH2-terminal human parathyroid hormone fragments.
J.Biol.Chem., 273, 1998
1ZWA
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BU of 1zwa by Molmil
STRUCTURE OF HUMAN PARATHYROID HORMONE FRAGMENT 1-34, NMR, 10 STRUCTURES
分子名称: PARATHYROID HORMONE
著者Roesch, P, Marx, U.C.
登録日1996-06-17
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structures of human parathyroid hormone fragments hPTH(1-34) and hPTH(1-39) and bovine parathyroid hormone fragment bPTH(1-37).
Biochem.Biophys.Res.Commun., 267, 2000
1ZWE
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BU of 1zwe by Molmil
STRUCTURE OF HUMAN PARATHYROID HORMONE FRAGMENT 4-37, NMR, 10 STRUCTURES
分子名称: PARATHYROID HORMONE
著者Roesch, P, Marx, U.C.
登録日1996-06-17
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure-activity relation of NH2-terminal human parathyroid hormone fragments.
J.Biol.Chem., 273, 1998
1ZWC
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BU of 1zwc by Molmil
STRUCTURE OF BOVINE PARATHYROID HORMONE FRAGMENT 1-37, NMR, 10 STRUCTURES
分子名称: PARATHYROID HORMONE
著者Roesch, P, Marx, U.C.
登録日1996-06-17
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structures of human parathyroid hormone fragments hPTH(1-34) and hPTH(1-39) and bovine parathyroid hormone fragment bPTH(1-37).
Biochem.Biophys.Res.Commun., 267, 2000

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