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6PWD
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BU of 6pwd by Molmil
Ewingella americana HopBF1 kinase
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Type III effector HopBF1
著者Tomchick, D.R, Tagliabracci, V.S, Park, B.C.
登録日2019-07-22
公開日2019-09-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献A Bacterial Effector Mimics a Host HSP90 Client to Undermine Immunity.
Cell, 179, 2019
6PWG
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BU of 6pwg by Molmil
Ewingella americana HopBF1 kinase bound to AMP-PNP
分子名称: 1,2-ETHANEDIOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Type III effector HopBF1
著者Tomchick, D.R, Tagliabracci, V.S, Park, B.C.
登録日2019-07-23
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A Bacterial Effector Mimics a Host HSP90 Client to Undermine Immunity.
Cell, 179, 2019
6PU8
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BU of 6pu8 by Molmil
Room temperature X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate of keto-darunavir
分子名称: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate, HIV-1 protease
著者Kovalevsky, A, Das, A.
登録日2019-07-17
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
6Q1G
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BU of 6q1g by Molmil
Human antibody H1244 of the human antibody lineage 652
分子名称: GLYCEROL, H1244 Fab heavy chain, H1244 Fab lambda chain
著者McCarthy, K.R, Harrison, S.C.
登録日2019-08-04
公開日2019-12-18
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6Q1E
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BU of 6q1e by Molmil
Inferred precursor (UCA) of the human antibody lineage 652
分子名称: Fab heavy chain, Fab lambda chain
著者McCarthy, K.R, Harrison, S.C.
登録日2019-08-03
公開日2019-12-18
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6Q0H
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BU of 6q0h by Molmil
Inferred intermediate I-7 (I-7-0) of the human antibody lineage 652 in complex with influenza hemagglutinin head domain of A/Beijing/262/95(H1N1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab lambda chain, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2019-08-01
公開日2019-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6Q18
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BU of 6q18 by Molmil
Human antibody H1244 in complex with the influenza hemagglutinin head domain of A/Beijing/262/95(H1N1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, H1244 Fab heavy chain, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2019-08-03
公開日2019-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6PTP
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BU of 6ptp by Molmil
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1
分子名称: HIV-1 Protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide
著者Kovalevsky, A, Das, A.
登録日2019-07-16
公開日2020-06-10
最終更新日2023-10-25
実験手法NEUTRON DIFFRACTION (1.85 Å), X-RAY DIFFRACTION
主引用文献Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.
Acs Omega, 5, 2020
7K4D
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BU of 7k4d by Molmil
Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 3OG
分子名称: 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6
著者Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
登録日2020-09-15
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
7K4B
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BU of 7k4b by Molmil
Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor cis-22a
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine, CALCIUM ION, ...
著者Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
登録日2020-09-15
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
6Q19
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BU of 6q19 by Molmil
Inferred intermediate (I-6) of the human antibody lineage 652
分子名称: Fab heavy chain, Fab lambda chain
著者McCarthy, K.R, Harrison, S.C.
登録日2019-08-03
公開日2019-12-18
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6Q1A
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BU of 6q1a by Molmil
Inferred intermediate mutant (I-6V) of the human antibody lineage 652
分子名称: Fab heavy chain, Fab lambda chain, GLYCEROL
著者McCarthy, K.R, Harrison, S.C.
登録日2019-08-03
公開日2019-12-18
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
7LO1
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BU of 7lo1 by Molmil
FAD-dependent monooxygenase AfoD from A. nidulans
分子名称: FAD-dependent monooxygenase afoD, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Rodriguez Benitez, A, Smith, J.L, Narayan, A.R.H.
登録日2021-02-08
公開日2022-04-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Deciphering the evolution of flavin-dependent monooxygenase stereoselectivity using ancestral sequence reconstruction.
Proc.Natl.Acad.Sci.USA, 120, 2023
6Q0I
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BU of 6q0i by Molmil
Inferred intermediate I-7 (I-7-6) of the human antibody lineage 652 in complex with influenza hemagglutinin head domain of A/Beijing/262/95(H1N1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab lambda chain, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2019-08-01
公開日2019-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6Q1K
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BU of 6q1k by Molmil
Inferred intermediate I-7 of the human antibody lineage 652
分子名称: Fab heavy chain, Fab lambda light chain, GLYCEROL
著者McCarthy, K.R, Harrison, S.C.
登録日2019-08-05
公開日2019-12-18
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
7LHQ
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BU of 7lhq by Molmil
Solution structure of SARS-CoV-2 nonstructural protein 7 at pH 7.0
分子名称: Non-structural protein 7
著者Lee, Y, Tonelli, M, Anderson, T.K, Kirchdoerfer, R.N, Henzler-Wildman, K, Lee, W.
登録日2021-01-26
公開日2022-02-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献pH-dependent polymorphism of the structure of SARS-CoV-2 nsp7
Biorxiv, 2021
6Q0L
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BU of 6q0l by Molmil
Inferred intermediate I-7 (I-7-1) of the human antibody lineage 652 in complex with influenza hemagglutinin head domain of A/Beijing/262/95(H1N1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab lambda chain, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2019-08-01
公開日2019-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
7K4E
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BU of 7k4e by Molmil
Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 30
分子名称: 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one, Transient receptor potential cation channel subfamily V member 6
著者Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
登録日2020-09-15
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.34 Å)
主引用文献Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
6Q0E
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BU of 6q0e by Molmil
Inferred precursor (UCA) of the human antibody lineage 652 in complex with influenza hemagglutinin head domain of A/Beijing/262/95(H1N1)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Fab heavy chain, Fab lambda light chain, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2019-08-01
公開日2019-12-18
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6Q0O
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BU of 6q0o by Molmil
human antibody H2227 lineage 652 in complex with influenza hemagglutinin head domain of A/Solomon Islands/3/2006(H1N1)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者McCarthy, K.R, Harrison, S.C.
登録日2019-08-02
公開日2019-12-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Affinity maturation in a human humoral response to influenza hemagglutinin.
Proc.Natl.Acad.Sci.USA, 2019
6QJP
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BU of 6qjp by Molmil
Cryo-EM structure of heparin-induced 2N4R tau jagged filaments
分子名称: Microtubule-associated protein tau
著者Zhang, W, Falcon, B, Murzin, A.G, Fan, J, Crowther, R.A, Goedert, M, Scheres, S.H.W.
登録日2019-01-24
公開日2019-02-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Heparin-induced tau filaments are polymorphic and differ from those in Alzheimer's and Pick's diseases.
Elife, 8, 2019
7LRD
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BU of 7lrd by Molmil
Cryo-EM of the SLFN12-PDE3A complex: Consensus subset model
分子名称: (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Fuller, J.R, Garvie, C.W, Lemke, C.T.
登録日2021-02-16
公開日2021-06-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7LRE
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BU of 7lre by Molmil
Cryo-EM of the SLFN12-PDE3A complex: SLFN12 body refinement
分子名称: Schlafen family member 12, ZINC ION
著者Fuller, J.R, Garvie, C.W, Lemke, C.T.
登録日2021-02-16
公開日2021-06-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
7LRC
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BU of 7lrc by Molmil
Cryo-EM of the SLFN12-PDE3A complex: PDE3A body refinement
分子名称: (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Fuller, J.R, Garvie, C.W, Lemke, C.T.
登録日2021-02-16
公開日2021-06-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
6O5D
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BU of 6o5d by Molmil
PYOCHELIN
分子名称: GLYCEROL, Neutrophil gelatinase-associated lipocalin, SULFATE ION
著者Rupert, P.B, Strong, R.K, Clifton, M.C, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2019-03-01
公開日2019-09-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Parsing the functional specificity of Siderocalin/Lipocalin 2/NGAL for siderophores and related small-molecule ligands.
J Struct Biol X, 2, 2019

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件を2024-07-17に公開中

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