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7VLH
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BU of 7vlh by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound MI2219
分子名称: 1-[(3~{S},6~{R},18~{R})-3,6-bis(4-azanylbutyl)-2,5,8,11,14,17-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclodocos-18-yl]guanidine, NS3 protease, SULFATE ION, ...
著者Quek, J.P.
登録日2021-10-02
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.621 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7UDW
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BU of 7udw by Molmil
Designed pentameric proton channel QQLL
分子名称: De novo designed pentameric proton channel QQLL
著者Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDV
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BU of 7udv by Molmil
Designed pentameric proton channel LLQL
分子名称: De novo designed proton channel LLQL
著者Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDZ
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BU of 7udz by Molmil
Designed pentameric proton channel LQLL
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel LQLL
著者Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J.M, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDY
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BU of 7udy by Molmil
Designed pentameric channel QLLL
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Designed channel QLLL
著者Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UDX
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BU of 7udx by Molmil
Designed pentameric proton channel QLQL
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed pentameric proton channel QLQL
著者Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UPI
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BU of 7upi by Molmil
Cryo-EM structure of SHOC2-PP1c-MRAS holophosphatase complex
分子名称: CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, Leucine-rich repeat protein SHOC-2, ...
著者Fuller, J.R, Hajian, B, Lemke, C, Kwon, J, Bian, Y, Aguirre, A.
登録日2022-04-15
公開日2022-05-04
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structure-function analysis of the SHOC2-MRAS-PP1C holophosphatase complex.
Nature, 609, 2022
7VLI
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BU of 7vli by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound MI2220
分子名称: 1-[(3~{S},6~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine, NS3 protease, SULFATE ION, ...
著者Quek, J.P.
登録日2021-10-02
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.385 Å)
主引用文献Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
5TYB
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BU of 5tyb by Molmil
DNA Polymerase Mu Reactant Complex, 10mM Mg2+ (7.5 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2016-11-19
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
5TYV
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BU of 5tyv by Molmil
DNA Polymerase Mu Reactant Complex, Mn2+ (7.5 min)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ...
著者Jamsen, J.A, Wilson, S.H.
登録日2016-11-21
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
5TZV
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BU of 5tzv by Molmil
Binary complex crystal structure of DNA Polymerase Beta with G:T mismatch at the primer terminus
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Wilson, S.H, Batra, V.K.
登録日2016-11-22
公開日2016-12-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of DNA Polymerase Mispaired DNA Termini Transitioning to Pre-catalytic Complexes Support an Induced-Fit Fidelity Mechanism.
Structure, 24, 2016
5TYY
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BU of 5tyy by Molmil
DNA Polymerase Mu Product Complex, Mn2+ (60 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2016-11-21
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.931 Å)
主引用文献Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
5TYD
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BU of 5tyd by Molmil
DNA Polymerase Mu Reactant Complex, 10 mM Mg2+ (45 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2016-11-19
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
5TOA
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BU of 5toa by Molmil
Crystal Structure of ER beta bound to Estradiol
分子名称: ESTRADIOL, Estrogen receptor beta
著者Textor, L, Nascimento, A.S, Polikarpov, I.
登録日2016-10-17
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An alternative conformation of ER beta bound to estradiol reveals H12 in a stable antagonist position.
Sci Rep, 7, 2017
8OIZ
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BU of 8oiz by Molmil
Crystal structure of human CRBN-DDB1 in complex with Pomalidomide
分子名称: 1,2-ETHANEDIOL, DNA damage-binding protein 1, Protein cereblon, ...
著者Le Bihan, Y.-V, Cabry, M.P, van Montfort, R.L.M.
登録日2023-03-23
公開日2023-07-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
5UE3
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BU of 5ue3 by Molmil
proMMP-9desFnII
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Matrix metalloproteinase-9, ...
著者Alexander, R.S, Spurlino, J, Milligan, C.
登録日2016-12-29
公開日2017-09-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Discovery of a highly selective chemical inhibitor of matrix metalloproteinase-9 (MMP-9) that allosterically inhibits zymogen activation.
J. Biol. Chem., 292, 2017
8OJH
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BU of 8ojh by Molmil
Crystal structure of human CRBN-DDB1 in complex with compound 4
分子名称: 1,2-ETHANEDIOL, 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione, DNA damage-binding protein 1, ...
著者Cabry, M.P, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2023-03-24
公開日2023-07-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献A Degron Blocking Strategy Towards Improved CRL4 CRBN Recruiting PROTAC Selectivity.
Chembiochem, 24, 2023
5TXX
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BU of 5txx by Molmil
DNA Polymerase Mu Pre-Catalytic Ground State Ternary Complex, Ca2+
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2016-11-17
公開日2017-08-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
8JN6
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BU of 8jn6 by Molmil
Cryo-EM structure of the small tail club shape particle of dengue virus serotype 3 strain CH53489 in complex with human antibody DENV-290 Fab at 37 deg C
分子名称: Human antibody DENV-290 heavy chain, Human antibody DENV-290 light chain, Polyprotein (Fragment)
著者Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
登録日2023-06-06
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (9.8 Å)
主引用文献Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN3
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BU of 8jn3 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain 863DK in complex with human antibody DENV-115 Fab at 37 deg C (subparticle LLR-LRR)
分子名称: Envelope protein, Human antibody DENV-115 heavy chain, Human antibody DENV-115 light chain, ...
著者Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
登録日2023-06-06
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN7
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BU of 8jn7 by Molmil
Cryo-EM structure of the big tail club shape particle of dengue virus serotype 3 strain CH53489 in complex with human antibody DENV-290 Fab at 37 deg C
分子名称: Human antibody DENV-290 heavy chain, Human antibody DENV-290 light chain, Polyprotein (Fragment)
著者Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
登録日2023-06-06
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN5
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BU of 8jn5 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain 863DK in complex with human antibody DENV-290 Fab at 37 deg C (subparticle LLR-LRR)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Human antibody DENV-290 heavy chain, ...
著者Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
登録日2023-06-06
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN4
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BU of 8jn4 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain 863DK in complex with human antibody DENV-290 Fab at 4 deg C (subparticle LLR-LRR)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Human antibody DENV-290 heavy chain, ...
著者Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
登録日2023-06-06
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN2
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BU of 8jn2 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain 863DK in complex with human antibody DENV-115 Fab at 4 deg C (subparticle LLR-LRR)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein, Human antibody DENV-115 heavy chain, ...
著者Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
登録日2023-06-06
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published
8JN1
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BU of 8jn1 by Molmil
Cryo-EM structure of dengue virus serotype 3 strain EHIE46200Y19 in complex with human antibody DENV-115 IgG at 4 deg C (subparticle LLR-LRR)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein (Fragment), Human antibody DENV-115 heavy chain, ...
著者Fibriansah, G, Ng, T.S, Tan, A.W.K, Shi, J, Lok, S.M.
登録日2023-06-06
公開日2024-06-12
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Ultrapotent human antibodies lock E protein dimers of diverse DENV3 morphological variants
To Be Published

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件を2024-06-26に公開中

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