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8TTY
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BU of 8tty by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 5
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, N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine, ...
著者Critton, D.A.
登録日2023-08-15
公開日2024-02-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
8TTZ
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BU of 8ttz by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 20
分子名称: (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Critton, D.A.
登録日2023-08-15
公開日2024-02-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
6DI4
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BU of 6di4 by Molmil
Rational Modification of Vanillin Derivatives to Stereospecifically Destabilize Sickle Hemoglobin Polymer Formation
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Pagare, P.P, Musayev, F.N.
登録日2018-05-22
公開日2018-09-05
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rational modification of vanillin derivatives to stereospecifically destabilize sickle hemoglobin polymer formation.
Acta Crystallogr D Struct Biol, 74, 2018
6DJ7
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BU of 6dj7 by Molmil
HIV-1 protease with mutation L76V in complex with GRL-5010 (gem-difluoro-bis-tetrahydrofuran as P2 ligand)
分子名称: (3R,3aS,6aS)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
著者Wong-Sam, A.E, Wang, Y.F, Weber, I.T.
登録日2018-05-24
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
6C6Y
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BU of 6c6y by Molmil
Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque in complex with MERS Receptor Binding Domain
分子名称: JC57-14 Heavy chain, JC57-14 Light chain, SULFATE ION, ...
著者Joyce, M.G, Mascola, J.R, Graham, B.S, Kwong, P.D.
登録日2018-01-19
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Importance of Neutralizing Monoclonal Antibodies Targeting Multiple Antigenic Sites on the Middle East Respiratory Syndrome Coronavirus Spike Glycoprotein To Avoid Neutralization Escape.
J. Virol., 92, 2018
6DJ5
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BU of 6dj5 by Molmil
HIV-1 protease with mutation L76V in complex with GRL-0519 (tris-tetrahydrofuran as P2 ligand)
分子名称: (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, GLYCEROL, ...
著者Wong-Sam, A.E, Wang, Y.F, Weber, I.T.
登録日2018-05-24
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Drug Resistance Mutation L76V Alters Nonpolar Interactions at the Flap-Core Interface of HIV-1 Protease.
ACS Omega, 3, 2018
6DDF
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BU of 6ddf by Molmil
Mu Opioid Receptor-Gi Protein Complex
分子名称: DAMGO, 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Koehl, A, Hu, H, Maeda, S, Manglik, A, Kobilka, B.K, Skiniotis, G, Weis, W.I.
登録日2018-05-10
公開日2018-06-13
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of the mu-opioid receptor-Giprotein complex.
Nature, 558, 2018
5WUU
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BU of 5wuu by Molmil
Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
分子名称: Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
著者Zhang, H, Sun, Z.Y.
登録日2016-12-21
公開日2017-04-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.724 Å)
主引用文献Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.
Bioorg. Med. Chem. Lett., 27, 2017
3JCT
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BU of 3jct by Molmil
Cryo-em structure of eukaryotic pre-60S ribosomal subunits
分子名称: 60S ribosomal protein L11-A, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ...
著者Wu, S, Kumcuoglu, B, Yan, K.G, Brown, H, Zhang, Y.X, Tan, D, Gamalinda, M, Yuan, Y, Li, Z.F, Jakovljevic, J, Ma, C.Y, Lei, J.L, Dong, M.Q, Woolford Jr, J.L, Gao, N.
登録日2016-03-09
公開日2016-06-01
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Diverse roles of assembly factors revealed by structures of late nuclear pre-60S ribosomes
Nature, 534, 2016
2L5P
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BU of 2l5p by Molmil
Solution NMR structure of protein lipocalin 12 from rat epididymis
分子名称: Lipocalin 12
著者Peng, Y, Lin, D.
登録日2010-11-03
公開日2011-04-13
最終更新日2011-09-14
実験手法SOLUTION NMR
主引用文献Solution structure of the protein lipocalin 12 from rat epididymis
Proteins, 79, 2011
4IV6
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BU of 4iv6 by Molmil
X-ray crystal structure of an isovaleryl-CoA dehydrogenase from Mycobacterium smegmatis
分子名称: Acyl-CoA dehydrogenase FadE3, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-01-22
公開日2013-03-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
7NBZ
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BU of 7nbz by Molmil
Crystal structure of ligand free open conformation of sulfoquinovosyl binding protein (SQBP) from Agrobacterium tumefaciens
分子名称: ACETATE ION, Sulfoquinovosyl binding protein
著者Snow, A, Sharma, M, Davies, G.J.
登録日2021-01-28
公開日2022-01-19
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
4J1U
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BU of 4j1u by Molmil
Crystal structure of antibody 93F3 unstable variant
分子名称: antibody 93F3 Heavy chain, antibody 93F3 Light chain
著者Wang, F.
登録日2013-02-02
公開日2013-03-13
最終更新日2013-05-22
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Somatic hypermutation maintains antibody thermodynamic stability during affinity maturation.
Proc.Natl.Acad.Sci.USA, 110, 2013
7N3R
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BU of 7n3r by Molmil
The ternary complex of human Bisphosphoglycerate mutase with 3-phosphoglycerate and 2-phosphoglycolate
分子名称: 2-PHOSPHOGLYCOLIC ACID, 3-PHOSPHOGLYCERIC ACID, Bisphosphoglycerate mutase
著者Aljahdali, A.S, Musayev, F.N, Safo, M.K.
登録日2021-06-01
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Molecular insight into 2-phosphoglycolate activation of the phosphatase activity of bisphosphoglycerate mutase.
Acta Crystallogr D Struct Biol, 78, 2022
7N3S
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BU of 7n3s by Molmil
Human bisphosphoglycerate mutase complex with 2-phosphoglycolate
分子名称: 2-PHOSPHOGLYCOLIC ACID, Bisphosphoglycerate mutase
著者Aljahdali, A.S, Musayev, F.N, Safo, M.K.
登録日2021-06-01
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Molecular insight into 2-phosphoglycolate activation of the phosphatase activity of bisphosphoglycerate mutase.
Acta Crystallogr D Struct Biol, 78, 2022
6M18
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BU of 6m18 by Molmil
ACE2-B0AT1 complex
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
登録日2020-02-25
公開日2020-03-11
最終更新日2020-11-04
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
6M1D
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BU of 6m1d by Molmil
ACE2-B0AT1 complex, open conformation
分子名称: Angiotensin-converting enzyme 2, Sodium-dependent neutral amino acid transporter B(0)AT1
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q.
登録日2020-02-25
公開日2020-03-11
最終更新日2020-04-08
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2.
Science, 367, 2020
4IZ9
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BU of 4iz9 by Molmil
Crystal structure of an acetate kinase from Mycobacterium avium bound to an unknown acid-ApCpp conjugate and manganese
分子名称: 1,2-ETHANEDIOL, Acetate kinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2013-01-29
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
6MIN
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BU of 6min by Molmil
Crystal structure of Taf14 YEATS domain G82A mutant in complex with histone H3K9cr
分子名称: Histone H3K9cr, Transcription initiation factor TFIID subunit 14
著者Klein, B.J, Andrews, F.H, Kutateladze, T.G.
登録日2018-09-19
公開日2018-11-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
6MIM
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BU of 6mim by Molmil
Crystal structure of AF9 YEATS domain Y78W mutant in complex with histone H3K9cr
分子名称: Histone H3K9cr, Protein AF-9
著者Vann, K.R, Klein, B.J, Kutateladze, T.G.
登録日2018-09-19
公開日2018-11-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.525 Å)
主引用文献Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
6MIO
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BU of 6mio by Molmil
Crystal structure of Taf14 YEATS domain in complex with histone H3K9pr
分子名称: Histone H3K9pr, Transcription initiation factor TFIID subunit 14
著者Klein, B.J, Andrews, F.H, Vann, K.R, Kutateladze, T.G.
登録日2018-09-19
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
6MIQ
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BU of 6miq by Molmil
Crystal structure of Taf14 YEATS domain in complex with histone H3K9bu
分子名称: Histone H3K9bu, Transcription initiation factor TFIID subunit 14
著者Klein, B.J, Andrews, F.H, Vann, K.R, Kutateladze, T.G.
登録日2018-09-19
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
4K3D
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BU of 4k3d by Molmil
Crystal structure of bovine antibody BLV1H12 with ultralong CDR H3
分子名称: BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAIN, LIGHT CHAIN, ...
著者Ekiert, D.C, Wang, F, Wilson, I.A.
登録日2013-04-10
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Reshaping antibody diversity.
Cell(Cambridge,Mass.), 153, 2013
6MIP
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BU of 6mip by Molmil
Crystal structure of Taf14 YEATS domain G82A mutant
分子名称: DI(HYDROXYETHYL)ETHER, Transcription initiation factor TFIID subunit 14
著者Klein, B.J, Andrews, F.H, Kutateladze, T.G.
登録日2018-09-19
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into the pi-pi-pi stacking mechanism and DNA-binding activity of the YEATS domain.
Nat Commun, 9, 2018
7OJ6
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BU of 7oj6 by Molmil
Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 1
分子名称: 2-[2-(2-chlorophenyl)sulfanylethanoyl-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-N-methyl-ethanamide, ACETATE ION, Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, ...
著者Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M.
登録日2021-05-14
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021

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