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8PZ0
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BU of 8pz0 by Molmil
Intracellular leucine aminopeptidase of Pseudomonas aeruginosa PA14.
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, CHLORIDE ION, ...
著者Simpson, M.C, Czekster, C.M, Harding, C.J.
登録日2023-07-26
公開日2023-11-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Unveiling the Catalytic Mechanism of a Processive Metalloaminopeptidase.
Biochemistry, 62, 2023
1ZPD
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BU of 1zpd by Molmil
PYRUVATE DECARBOXYLASE FROM ZYMOMONAS MOBILIS
分子名称: CITRIC ACID, MAGNESIUM ION, MONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-AMINO]-2-HYDROXY-3-MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER, ...
著者Lu, G, Dobritzsch, D, Schneider, G.
登録日1998-04-17
公開日1999-02-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献High resolution crystal structure of pyruvate decarboxylase from Zymomonas mobilis. Implications for substrate activation in pyruvate decarboxylases.
J.Biol.Chem., 273, 1998
5F4Q
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BU of 5f4q by Molmil
Crystal structure of the human egg surface protein Juno
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Aydin, H, Sultana, A, Lee, J.E.
登録日2015-12-03
公開日2016-06-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex.
Nature, 534, 2016
1Z50
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BU of 1z50 by Molmil
Parainfluenza Virus 5 (SV5) Hemagglutinin-Neuraminidase (HN) with ligand DANA (soaked with sialic acid, pH 8.0)
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 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Yuan, P, Thompson, T.B, Wurzburg, B.A, Paterson, R.G, Lamb, R.A, Jardetzky, T.S.
登録日2005-03-16
公開日2005-05-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural studies of the parainfluenza virus 5 hemagglutinin-neuraminidase tetramer in complex with its receptor, sialyllactose.
Structure, 13, 2005
5F7M
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BU of 5f7m by Molmil
Blood group antigen binding adhesin BabA of Helicobacter pylori strain 17875 in complex with blood group H Lewis b hexasaccharide
分子名称: Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER19, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H.
登録日2015-12-08
公開日2016-01-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Cell Host Microbe, 19, 2016
5F1A
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BU of 5f1a by Molmil
The Crystal Structure of Salicylate Bound to Human Cyclooxygenase-2
分子名称: 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lucido, M.J, Orlando, B.J, Malkowski, M.G.
登録日2015-11-30
公開日2016-03-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry.
Biochemistry, 55, 2016
5F7R
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BU of 5f7r by Molmil
ROK repressor Lmo0178 from Listeria monocytogenes bound to inducer
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lmo0178 protein, ...
著者Light, S.H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-12-08
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure to function of an alpha-glucan metabolic pathway that promotes Listeria monocytogenes pathogenesis.
Nat Microbiol, 2, 2016
1Z0N
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BU of 1z0n by Molmil
the glycogen-binding domain of the AMP-activated protein kinase
分子名称: 5'-AMP-activated protein kinase, beta-1 subunit, Cycloheptakis-(1-4)-(alpha-D-glucopyranose)
著者Polekhina, G, Gupta, A, van Denderen, B.J, Feil, S.C, Kemp, B.E, Stapleton, D, Parker, M.W.
登録日2005-03-02
公開日2005-10-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural Basis for Glycogen Recognition by AMP-Activated Protein Kinase.
Structure, 13, 2005
5F47
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BU of 5f47 by Molmil
Crystal structure of an aminoglycoside acetyltransferase meta-AAC0020 from an uncultured soil metagenomic sample in complex with trehalose
分子名称: CALCIUM ION, CHLORIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ...
著者Xu, Z, Skarina, T, Wawrzak, Z, Stogios, P.J, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2015-12-03
公開日2015-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.497 Å)
主引用文献Structural and Functional Survey of Environmental Aminoglycoside Acetyltransferases Reveals Functionality of Resistance Enzymes.
ACS Infect Dis, 3, 2017
5F4T
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BU of 5f4t by Molmil
Crystal structure of the human sperm Izumo1 residues 22-254
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Izumo sperm-egg fusion protein 1
著者Aydin, H, Sultana, A, Lee, J.E.
登録日2015-12-03
公開日2016-06-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.083 Å)
主引用文献Molecular architecture of the human sperm IZUMO1 and egg JUNO fertilization complex.
Nature, 534, 2016
5F7N
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BU of 5f7n by Molmil
Blood group antigen binding adhesin BabA of Helicobacter pylori strain 17875 in complex with blood group A Lewis b pentasaccharide
分子名称: Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER19, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H.
登録日2015-12-08
公開日2016-01-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Cell Host Microbe, 19, 2016
1Z4Y
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BU of 1z4y by Molmil
Parainfluenza Virus 5 (SV5) Hemagglutinin-Neuraminidase (HN) (pH 8.0)
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, CALCIUM ION, ...
著者Yuan, P, Thompson, T.B, Wurzburg, B.A, Paterson, R.G, Lamb, R.A, Jardetzky, T.S.
登録日2005-03-16
公開日2005-05-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural studies of the parainfluenza virus 5 hemagglutinin-neuraminidase tetramer in complex with its receptor, sialyllactose.
Structure, 13, 2005
5EYX
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BU of 5eyx by Molmil
Monoclinic Form of Centrolobium tomentosum seed lectin (CTL) complexed with Man1-3Man-OMe.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Centrolobium tomentosum lectin, ...
著者Almeida, A.C, Osterne, V.J.S, Santiago, M.Q, Pinto-Junior, V.R, Silva-Filho, J.C, Lossio, C.F, Almeida, R.P.H, Teixeira, C.S, Delatorre, P, Rocha, B.A.M, Santiago, K.S, Cavada, B.S.
登録日2015-11-25
公開日2016-03-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural analysis of Centrolobium tomentosum seed lectin with inflammatory activity.
Arch.Biochem.Biophys., 596, 2016
8PQC
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BU of 8pqc by Molmil
c-KIT kinase domain in complex with avapritinib derivative 9
分子名称: (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit
著者Teuber, A, Kleinboelting, S.B, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQH
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BU of 8pqh by Molmil
PDGFRA T674I mutant kinase domain in complex with avapritinib
分子名称: Avapritinib, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha
著者Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQI
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BU of 8pqi by Molmil
PDGFRA T674I mutant kinase domain in complex with avapritinib derivative 9
分子名称: (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha
著者Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQE
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BU of 8pqe by Molmil
c-KIT kinase domain in complex with avapritinib derivative 11
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQJ
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BU of 8pqj by Molmil
PDGFRA wild-type kinase domain
分子名称: Platelet-derived growth factor receptor alpha
著者Teuber, A, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQA
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BU of 8pqa by Molmil
c-KIT kinase domain in complex with avapritinib derivative 4
分子名称: 6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine, Mast/stem cell growth factor receptor Kit
著者Teuber, A, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQF
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BU of 8pqf by Molmil
c-KIT kinase domain in complex with avapritinib derivative 12
分子名称: Mast/stem cell growth factor receptor Kit, methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate
著者Teuber, A, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQ9
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BU of 8pq9 by Molmil
c-KIT kinase domain in complex with avapritinib
分子名称: Avapritinib, Mast/stem cell growth factor receptor Kit, SULFATE ION
著者Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQG
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BU of 8pqg by Molmil
c-KIT T670I mutated kinase domain in complex with avapritinib
分子名称: Avapritinib, Mast/stem cell growth factor receptor Kit
著者Teuber, A, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
8PQB
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BU of 8pqb by Molmil
c-KIT kinase domain in complex with avapritinib derivative 8
分子名称: (1~{S})-1-(4-fluorophenyl)-~{N},~{N}-dimethyl-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit
著者Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
5F7Y
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BU of 5f7y by Molmil
Blood group antigen binding adhesin BabA of Helicobacter pylori strain 17875 in complex with blood group A type-1 hexasaccharide
分子名称: Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER19, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H.
登録日2015-12-08
公開日2016-01-20
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.
Cell Host Microbe, 19, 2016
8PQD
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BU of 8pqd by Molmil
c-KIT kinase domain in complex with avapritinib derivative 10
分子名称: Mast/stem cell growth factor receptor Kit, ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]ethanamide
著者Teuber, A, Mueller, M.P, Rauh, D.
登録日2023-07-11
公開日2023-12-27
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024

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