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2ORQ
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BU of 2orq by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex
分子名称: 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE, 4-(1H-IMIDAZOL-1-YL)PHENOL, Nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2OPT
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BU of 2opt by Molmil
Crystal Structure of Apo ActR from Streptomyces coelicolor.
分子名称: ActII protein
著者Willems, A.R, Junop, M.S.
登録日2007-01-30
公開日2008-02-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of the Streptomyces coelicolor TetR-like protein ActR alone and in complex with actinorhodin or the actinorhodin biosynthetic precursor (S)-DNPA.
J.Mol.Biol., 376, 2008
2ORP
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BU of 2orp by Molmil
Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex
分子名称: 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE, PROTOPORPHYRIN IX CONTAINING FE, nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORR
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BU of 2orr by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-pyrimidine Complex
分子名称: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE, Nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORT
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BU of 2ort by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 1-Benzo[1,3]dioxol-5-ylmethyl-3S-(4-imidazol-1-yl-phenoxy)-piperidine Complex
分子名称: (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE, Nitric oxide synthase, inducible, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORO
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BU of 2oro by Molmil
Murine inducible nitric oxide synthase oxygenase domain (delta 114) (r)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide complex
分子名称: N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE, PROTOPORPHYRIN IX CONTAINING FE, SULFITE ION, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2ORS
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BU of 2ors by Molmil
Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex
分子名称: 1,2-ETHANEDIOL, 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE, Nitric oxide synthase, ...
著者Adler, M, Whitlow, M.
登録日2007-02-04
公開日2007-04-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors
J.Med.Chem., 50, 2007
2PML
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BU of 2pml by Molmil
Crystal structure of PfPK7 in complex with an ATP analogue
分子名称: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ser/Thr protein kinase
著者Merckx, A, Echalier, A, Noble, M, Endicott, J.
登録日2007-04-23
公開日2008-01-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of PfPK7 an atypical protein kinase from P. falciparum identify a novel activation motif and leads for inhibitor design
To be Published
7S8O
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BU of 7s8o by Molmil
CryoEM structure of Gi-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573
分子名称: (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
登録日2021-09-18
公開日2021-11-17
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8L
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BU of 7s8l by Molmil
CryoEM structure of Gq-coupled MRGPRX2 with peptide agonist Cortistatin-14
分子名称: Cortistatin 14, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
登録日2021-09-18
公開日2021-11-17
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.45 Å)
主引用文献Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8M
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BU of 7s8m by Molmil
CryoEM structure of Gi-coupled MRGPRX2 with peptide agonist Cortistatin-14
分子名称: Cortistatin 14, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
登録日2021-09-18
公開日2021-11-17
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8N
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BU of 7s8n by Molmil
CryoEM structure of Gq-coupled MRGPRX2 with small molecule agonist (R)-Zinc-3573
分子名称: (3R)-N,N-dimethyl-1-[(8S)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-amine, Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
登録日2021-09-18
公開日2021-11-17
最終更新日2021-12-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
7S8P
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BU of 7s8p by Molmil
CryoEM structure of Gq-coupled MRGPRX4 with small molecule agonist MS47134
分子名称: Gs-mini-Gq chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Cao, C, Fay, J.F, Gumpper, R.H, Roth, B.L.
登録日2021-09-18
公開日2021-11-17
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structure, function and pharmacology of human itch GPCRs.
Nature, 600, 2021
6QAM
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BU of 6qam by Molmil
Solution NMR structure of outer membrane protein AlkL
分子名称: Outer membrane protein AlkL
著者Schubeis, T, Andreas, L.B, Pintacuda, G.
登録日2018-12-19
公開日2020-01-15
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A beta-barrel for oil transport through lipid membranes: Dynamic NMR structures of AlkL.
Proc.Natl.Acad.Sci.USA, 117, 2020
7M42
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BU of 7m42 by Molmil
Complex of SARS-CoV-2 receptor binding domain with the Fab fragments of neutralizing antibodies REGN10985 and REGN10989
分子名称: REGN10985 antibody Fab fragment heavy chain, REGN10985 antibody Fab fragment light chain, REGN10989 antibody Fab fragment heavy chain, ...
著者Zhou, Y, Romero Hernandez, A, Saotome, K, Franklin, M.C.
登録日2021-03-19
公開日2021-07-28
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The monoclonal antibody combination REGEN-COV protects against SARS-CoV-2 mutational escape in preclinical and human studies.
Cell, 184, 2021
6LXY
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BU of 6lxy by Molmil
IRAK4 in complex with inhibitor
分子名称: Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-fluoranyl-3-methyl-3-oxidanyl-butyl]-6-[(6-fluoranylpyrazolo[1,5-a]pyrimidin-5-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide, SULFATE ION
著者Ghosh, K, Bose, S.
登録日2020-02-12
公開日2020-11-25
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.
Acs Med.Chem.Lett., 11, 2020
8TRC
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BU of 8trc by Molmil
mGluR3 in the presence of the antagonist LY 341495 and positive allosteric modulator VU6023326
分子名称: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, Metabotropic glutamate receptor 3
著者Strauss, A, Levitz, J.
登録日2023-08-09
公開日2024-07-31
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Biorxiv, 2023
8TR2
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BU of 8tr2 by Molmil
mGluR3 in the presence of the agonist LY379268
分子名称: (1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid, CALCIUM ION, Metabotropic glutamate receptor 3
著者Strauss, A, Levitz, J.
登録日2023-08-09
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Biorxiv, 2023
8TQB
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BU of 8tqb by Molmil
mGluR3 in the presence of the agonist LY379268 and PAM VU6023326
分子名称: (1R,4R,5S,6R)-4-azanyl-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid, CALCIUM ION, Metabotropic glutamate receptor 3
著者Strauss, A, Levitz, J.
登録日2023-08-06
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Biorxiv, 2023
8TR0
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BU of 8tr0 by Molmil
Metabotropic glutamate receptor 3 class 3 bound to antagonist LY 341495
分子名称: 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, Metabotropic glutamate receptor 3
著者Strauss, A, Levitz, J.
登録日2023-08-09
公開日2024-07-31
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of allosteric modulation of metabotropic glutamate receptor activation and desensitization.
Biorxiv, 2023
7NKT
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BU of 7nkt by Molmil
RBD domain of SARS-CoV2 in complex with neutralizing nanobody NM1226
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Ostertag, E, Zocher, G, Stehle, T.
登録日2021-02-18
公開日2021-05-12
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献NeutrobodyPlex-monitoring SARS-CoV-2 neutralizing immune responses using nanobodies.
Embo Rep., 22, 2021
3EII
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BU of 3eii by Molmil
Zinc-bound glycoside hydrolase 61 E from Thielavia terrestris
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
著者Salbo, R, Welner, D, Lo Leggio, L, Harris, P, McFarland, K.
登録日2008-09-16
公開日2009-10-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Stimulation of lignocellulosic biomass hydrolysis by proteins of glycoside hydrolase family 61: structure and function of a large, enigmatic family.
Biochemistry, 49, 2010
3EJA
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BU of 3eja by Molmil
Magnesium-bound glycoside hydrolase 61 isoform E from Thielavia terrestris
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
著者Salbo, R, Welner, D, Lo Leggio, L, Harris, P, McFarland, K.
登録日2008-09-18
公開日2009-10-27
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Stimulation of lignocellulosic biomass hydrolysis by proteins of glycoside hydrolase family 61: structure and function of a large, enigmatic family.
Biochemistry, 49, 2010
1Z7D
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BU of 1z7d by Molmil
Ornithine aminotransferase PY00104 from Plasmodium Yoelii
分子名称: ornithine aminotransferase
著者Walker, J.R, Alam, Z, Amani, M, Lew, J, Wasney, G, Boulanger, K, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Hui, R, Vedadi, M, Structural Genomics Consortium (SGC)
登録日2005-03-24
公開日2005-07-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
7Z5H
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BU of 7z5h by Molmil
human Zn MATCAP
分子名称: Uncharacterized protein KIAA0895-like, ZINC ION
著者Bak, J, Adamopoulos, A, Heidebrecht, T, Perrakis, A.
登録日2022-03-09
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Posttranslational modification of microtubules by the MATCAP detyrosinase.
Science, 376, 2022

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