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7ONT
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BU of 7ont by Molmil
PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor (compound 22)
分子名称: 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl)methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M.J, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W.
登録日2021-05-25
公開日2021-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
7WX6
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A Legionella acetyltransferase VipF
分子名称: CHLORAMPHENICOL, COENZYME A, N-acetyltransferase
著者Chen, T.T, Lin, Y.L, Chen, Z, Han, A.D.
登録日2022-02-14
公開日2022-09-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.273 Å)
主引用文献Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
7ONR
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BU of 7onr by Molmil
PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9)
分子名称: 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION
著者Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W.
登録日2021-05-25
公開日2021-09-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs.
J.Med.Chem., 64, 2021
7WX5
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BU of 7wx5 by Molmil
a Legionella acetyltransferase effector VipF
分子名称: ACETYL COENZYME *A, N-acetyltransferase
著者Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D.
登録日2022-02-14
公開日2023-02-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
7WX7
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BU of 7wx7 by Molmil
complex of a legionella acetyltransferase VipF and COA/ACO
分子名称: ACETYL COENZYME *A, COENZYME A, N-acetyltransferase
著者Chen, T.T, Lin, Y.L, Zhang, S.J, Han, A.D.
登録日2022-02-14
公開日2023-02-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献Structural basis for the acetylation mechanism of the Legionella effector VipF.
Acta Crystallogr D Struct Biol, 78, 2022
6ISM
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BU of 6ism by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
分子名称: Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-11-16
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6J0L
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BU of 6j0l by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with sulfate ion
分子名称: Butyrophilin subfamily 3 member A3, SULFATE ION
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6J0K
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BU of 6j0k by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6J0G
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BU of 6j0g by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-24
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6J06
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BU of 6j06 by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP-08
分子名称: (2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1, CALCIUM ION, ...
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-12-21
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
6ITA
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BU of 6ita by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 mutant
分子名称: Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-11-20
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
7XQL
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BU of 7xql by Molmil
complex structure of LegA15 with GNP
分子名称: Ankyrin repeat-containing protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Chen, T.T, Lin, Y.L.
登録日2022-05-07
公開日2023-05-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.272 Å)
主引用文献Atypical Legionella GTPase effector hijacks host vesicular transport factor p115 to regulate host lipid droplet.
Sci Adv, 8, 2022
7X31
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BU of 7x31 by Molmil
solution structure of an anti-CRISPR protein
分子名称: Anti-CRISPR protein (AcrIIC1)
著者Zhao, Y, Yang, F.
登録日2022-02-27
公開日2022-10-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1.
Nat Commun, 13, 2022
7XMR
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BU of 7xmr by Molmil
CryoEM structure of the somatostatin receptor 2 (SSTR2) in complex with Gi1 and its endogeneous peptide ligand SST-14
分子名称: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
登録日2022-04-26
公開日2022-08-03
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XMS
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BU of 7xms by Molmil
CryoEM structure of somatostatin receptor 4 (SSTR4) in complex with Gi1 and its endogeneous ligand SST-14
分子名称: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
登録日2022-04-26
公開日2022-08-03
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7XMT
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BU of 7xmt by Molmil
CryoEM structure of somatostatin receptor 4 (SSTR4) with Gi1 and J-2156
分子名称: (2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid, 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Wenli, Z, Shuo, H, Na, Q, Wenbo, Z, Mengjie, L, Dehua, Y, Ming-Wei, W, Wu, B, Zhao, Q.
登録日2022-04-26
公開日2022-08-03
最終更新日2022-08-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural insights into ligand recognition and selectivity of somatostatin receptors.
Cell Res., 32, 2022
7C4U
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BU of 7c4u by Molmil
MicroED structure of orthorhombic Vancomycin at 1.2 A resolution
分子名称: CHLORIDE ION, Vancomycin, vancosamine-(1-2)-beta-D-glucopyranose
著者Fan, Q, Zhou, H, Li, X, Wang, J.
登録日2020-05-18
公開日2020-08-12
最終更新日2021-03-17
実験手法ELECTRON CRYSTALLOGRAPHY (1.2 Å)
主引用文献Precise Control Over Kinetics of Molecular Assembly: Production of Particles with Tunable Sizes and Crystalline Forms.
Angew.Chem.Int.Ed.Engl., 59, 2020
7C4V
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BU of 7c4v by Molmil
MicroED structure of anorthic Vancomycin at 1.05 A resolution
分子名称: CHLORIDE ION, Vancomycin, vancosamine-(1-2)-beta-D-glucopyranose
著者Fan, Q, Zhou, H, Li, X, Wang, J.
登録日2020-05-18
公開日2020-08-12
最終更新日2023-11-29
実験手法ELECTRON CRYSTALLOGRAPHY (1.05 Å)
主引用文献Precise Control Over Kinetics of Molecular Assembly: Production of Particles with Tunable Sizes and Crystalline Forms.
Angew.Chem.Int.Ed.Engl., 59, 2020
1T4S
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BU of 1t4s by Molmil
arginase-L-valine complex
分子名称: Arginase 1, MANGANESE (II) ION, VALINE
著者Cama, E, Pethe, S, Boucher, J.-L, Shoufa, H, Emig, F.A, Ash, D.E, Viola, R.E, Mansuy, D, Christianson, D.W.
登録日2004-04-30
公開日2004-10-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Inhibitor coordination interactions in the binuclear manganese cluster of arginase
Biochemistry, 43, 2004
1T4R
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BU of 1t4r by Molmil
arginase-descarboxy-nor-NOHA complex
分子名称: 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}PROPAN-1-AMINIUM, Arginase 1, MANGANESE (II) ION
著者Cama, E, Pethe, S, Boucher, J.-L, Shoufa, H, Emig, F.A, Ash, D.E, Viola, R.E, Mansuy, D, Christianson, D.W.
登録日2004-04-30
公開日2005-04-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Inhibitor coordination interactions in the binuclear manganese cluster of arginase
Biochemistry, 43, 2004
2FBX
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WRN exonuclease, Mg complex
分子名称: MAGNESIUM ION, Werner syndrome helicase
著者Perry, J.J.
登録日2005-12-10
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献WRN exonuclease structure and molecular mechanism imply an editing role in DNA end processing.
Nat.Struct.Mol.Biol., 13, 2006
2FC0
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BU of 2fc0 by Molmil
WRN exonuclease, Mn dGMP complex
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, Werner syndrome helicase
著者Perry, J.J, Tainer, J.A.
登録日2005-12-10
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献WRN exonuclease structure and molecular mechanism imply an editing role in DNA end processing.
Nat.Struct.Mol.Biol., 13, 2006
7MEM
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BU of 7mem by Molmil
CryoEM structure of monoclonal Fab 045-09 2B05 binding the lateral patch of influenza virus H1 HA
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, Heavy chain of monoclonal antibody 045-09 2B05, ...
著者Han, J, Ward, A.
登録日2021-04-06
公開日2021-07-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献First exposure to the pandemic H1N1 virus induced broadly neutralizing antibodies targeting hemagglutinin head epitopes.
Sci Transl Med, 13, 2021
2FBY
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BU of 2fby by Molmil
WRN exonuclease, Eu complex
分子名称: EUROPIUM (III) ION, Werner syndrome helicase
著者Perry, J.J.
登録日2005-12-10
公開日2006-04-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献WRN exonuclease structure and molecular mechanism imply an editing role in DNA end processing.
Nat.Struct.Mol.Biol., 13, 2006
1T4T
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BU of 1t4t by Molmil
arginase-dinor-NOHA complex
分子名称: 3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINE, Arginase 1, MANGANESE (II) ION
著者Cama, E, Pethe, S, Boucher, J.-L, Shoufa, H, Emig, F.A, Ash, D.E, Viola, R.E, Mansuy, D, Christianson, D.W.
登録日2004-04-30
公開日2005-04-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitor coordination interactions in the binuclear manganese cluster of arginase
Biochemistry, 43, 2004

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