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6N1E
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BU of 6n1e by Molmil
Crystal structure of X. citri phosphoglucomutase in complex with 1-methyl-glucose 6-phosphate
分子名称: 1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose, MAGNESIUM ION, Phosphomannomutase/phosphoglucomutase
著者Beamer, L.J, Stiers, K.M.
登録日2018-11-08
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis, Derivatization, and Structural Analysis of Phosphorylated Mono-, Di-, and Trifluorinated d-Gluco-heptuloses by Glucokinase: Tunable Phosphoglucomutase Inhibition.
Acs Omega, 4, 2019
6MX6
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BU of 6mx6 by Molmil
The Prp8 intein of Cryptococcus neoformans
分子名称: Pre-mRNA-processing-splicing factor 8
著者Li, Z, Li, H.
登録日2018-10-30
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Spliceosomal Prp8 intein at the crossroads of protein and RNA splicing.
Plos Biol., 17, 2019
6MOO
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BU of 6moo by Molmil
Co-Crystal structure of P. aeruginosa LpxC-achn975 complex
分子名称: N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R.
登録日2018-10-04
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
6MO4
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BU of 6mo4 by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50067 complex
分子名称: MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase
著者Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R.
登録日2018-10-04
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.844 Å)
主引用文献Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
6MOD
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BU of 6mod by Molmil
Co-Crystal structure of P. aeruginosa LpxC-50432 complex
分子名称: GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ...
著者Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R.
登録日2018-10-04
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
6NFH
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BU of 6nfh by Molmil
BTK in complex with inhibitor 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione
分子名称: 1,2-ETHANEDIOL, 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione, Tyrosine-protein kinase BTK
著者Mirzadegan, T, Damm-Ganamet, K.L.
登録日2018-12-20
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Accelerating Lead Identification by High Throughput Virtual Screening: Prospective Case Studies from the Pharmaceutical Industry.
J.Chem.Inf.Model., 59, 2019
6NKK
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BU of 6nkk by Molmil
Structure of PhqE Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and premalbrancheamide
分子名称: (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
著者Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
登録日2019-01-07
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NMD
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BU of 6nmd by Molmil
cryo-EM Structure of the LbCas12a-crRNA-AcrVA1 complex
分子名称: AcrVA1, Cpf1, MAGNESIUM ION, ...
著者Chang, L, Li, Z, Zhang, H.
登録日2019-01-10
公開日2019-06-12
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NMA
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BU of 6nma by Molmil
CryoEM structure of the LbCas12a-crRNA-AcrVA4 complex
分子名称: AcrVA1, Cpf1, MAGNESIUM ION, ...
著者Chang, L, Li, Z, Zhang, H.
登録日2019-01-10
公開日2019-06-12
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NKI
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BU of 6nki by Molmil
Structure of PhqB Reductase Domain from Penicillium fellutanum
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NRPS
著者Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H.
登録日2019-01-07
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
7RK0
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BU of 7rk0 by Molmil
Crystal structure of Thermovibrio ammonificans THI4
分子名称: 2-[(E)-[(4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-ylidene]amino]ethanoic acid, FE (III) ION, Thiamine thiazole synthase
著者Li, Q, Bruner, S.D.
登録日2021-07-21
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure and function of aerotolerant, multiple-turnover THI4 thiazole synthases.
Biochem.J., 478, 2021
6NKM
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BU of 6nkm by Molmil
Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate
分子名称: 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase
著者Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H.
登録日2019-01-07
公開日2019-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase.
Nat.Chem., 11, 2019
6NFI
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BU of 6nfi by Molmil
BTK in complex with inhibitor N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide
分子名称: N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide, SULFATE ION, Tyrosine-protein kinase BTK
著者Damm-Ganamet, K.L, Mirzadegan, T.
登録日2018-12-20
公開日2019-03-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Accelerating Lead Identification by High Throughput Virtual Screening: Prospective Case Studies from the Pharmaceutical Industry.
J.Chem.Inf.Model., 59, 2019
6NME
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BU of 6nme by Molmil
Structure of LbCas12a-crRNA
分子名称: Cpf1, MAGNESIUM ION, crRNA
著者Chang, L, Li, Z, Zhang, H.
登録日2019-01-10
公開日2019-06-12
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (5.67 Å)
主引用文献Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NM9
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BU of 6nm9 by Molmil
CryoEM structure of the LbCas12a-crRNA-AcrVA4 dimer
分子名称: AcrVA4, Cpf1, MAGNESIUM ION, ...
著者Chang, L, Li, Z, Zhang, H.
登録日2019-01-10
公開日2019-06-12
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NMC
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BU of 6nmc by Molmil
CryoEM structure of the LbCas12a-crRNA-2xAcrVA1 complex
分子名称: AcrVA1, Cpf1, MAGNESIUM ION, ...
著者Chang, L, Li, Z, Zhang, H.
登録日2019-01-10
公開日2019-06-12
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.24 Å)
主引用文献Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
7QYD
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BU of 7qyd by Molmil
mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: Pesticidal crystal protein Cry11Ba
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A.
登録日2022-01-28
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX4
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BU of 7qx4 by Molmil
mosquitocidal Cry11Aa determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: Pesticidal crystal protein Cry11Aa
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
登録日2022-01-26
公開日2022-07-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX6
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BU of 7qx6 by Molmil
mosquitocidal Cry11Aa-E583Q determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: Pesticidal crystal protein Cry11Aa
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
登録日2022-01-26
公開日2022-07-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
6N64
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BU of 6n64 by Molmil
Crystal structure of mouse SMCHD1 hinge domain
分子名称: Structural maintenance of chromosomes flexible hinge domain-containing protein 1, Uncharacterized peptide from Structural maintenance of chromosomes flexible hinge domain-containing protein 1
著者Birkinshaw, R.W, Chen, K, Czabotar, P.E, Blewitt, M.E, Murphy, J.M.
登録日2018-11-25
公開日2020-06-17
最終更新日2021-01-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structure of the hinge domain of Smchd1 reveals its dimerization mode and nucleic acid-binding residues.
Sci.Signal., 13, 2020
7QX5
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BU of 7qx5 by Molmil
mosquitocidal Cry11Aa-Y449F determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: Pesticidal crystal protein Cry11Aa
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
登録日2022-01-26
公開日2022-07-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7QX7
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BU of 7qx7 by Molmil
mosquitocidal Cry11Aa-F17Y determined at pH 7 from naturally-occurring nanocrystals by Serial femtosecond crystallography
分子名称: Pesticidal crystal protein Cry11Aa
著者De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P.
登録日2022-01-26
公開日2022-07-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals.
Nat Commun, 13, 2022
7RBT
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BU of 7rbt by Molmil
cryo-EM structure of human Gastric inhibitory polypeptide receptor GIPR bound to tirzepatide
分子名称: 2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol, Gastric inhibitory polypeptide receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
登録日2021-07-06
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural determinants of dual incretin receptor agonism by tirzepatide.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RGP
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BU of 7rgp by Molmil
cryo-EM of human Glucagon-like peptide 1 receptor GLP-1R bound to tirzepatide
分子名称: Glucagon-like peptide 1 receptor, 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Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
登録日2021-07-15
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural determinants of dual incretin receptor agonism by tirzepatide.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RG9
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cryo-EM of human Glucagon-like peptide 1 receptor GLP-1R in apo form
分子名称: Glucagon-like peptide 1 receptor, 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Sun, B, Kobilka, B.K, Sloop, K.W, Feng, D, Kobilka, T.S.
登録日2021-07-14
公開日2022-04-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural determinants of dual incretin receptor agonism by tirzepatide.
Proc.Natl.Acad.Sci.USA, 119, 2022

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