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7TO4
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Structural and functional impact by SARS-CoV-2 Omicron spike mutations
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2022-01-22
公開日2022-02-16
最終更新日2022-05-11
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural and functional impact by SARS-CoV-2 Omicron spike mutations.
Cell Rep, 39, 2022
2KH5
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BU of 2kh5 by Molmil
Solution Structure of cis-5R,6S-thymine glycol opposite complementary adenine in duplex DNA
分子名称: 5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*GP*(CTG)P*GP*TP*TP*TP*GP*T)-3'
著者Brown, K.L.
登録日2009-03-24
公開日2010-03-02
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Binding of the human nucleotide excision repair proteins XPA and XPC/HR23B to the 5R-thymine glycol lesion and structure of the cis-(5R,6S) thymine glycol epimer in the 5'-GTgG-3' sequence: destabilization of two base pairs at the lesion site
Nucleic Acids Res., 38, 2010
4BJM
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BU of 4bjm by Molmil
Crystal structure of the flax-rust effector avrM
分子名称: AVRM, CHLORIDE ION
著者Ve, T, Williams, S.J, Kobe, B.
登録日2013-04-19
公開日2013-10-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of the Flax-Rust Effector Avrm Reveal Insights Into the Molecular Basis of Plant-Cell Entry and Effector-Triggered Immunity
Proc.Natl.Acad.Sci.USA, 110, 2013
4BJN
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BU of 4bjn by Molmil
Crystal structure of the flax-rust effector AvrM-A
分子名称: AVRM-A
著者Ve, T, Williams, S.J, Kobe, B.
登録日2013-04-19
公開日2013-10-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of the Flax-Rust Effector Avrm Reveal Insights Into the Molecular Basis of Plant-Cell Entry and Effector-Triggered Immunity
Proc.Natl.Acad.Sci.USA, 110, 2013
6AKG
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BU of 6akg by Molmil
Crystal structure of mouse claudin-3 P134G mutant in complex with C-terminal fragment of Clostridium perfringens enterotoxin
分子名称: Claudin-3, Heat-labile enterotoxin B chain
著者Nakamura, S, Irie, K, Fujiyoshi, Y.
登録日2018-08-31
公開日2019-02-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Morphologic determinant of tight junctions revealed by claudin-3 structures.
Nat Commun, 10, 2019
6AKF
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BU of 6akf by Molmil
Crystal structure of mouse claudin-3 P134A mutant in complex with C-terminal fragment of Clostridium perfringens enterotoxin
分子名称: Claudin-3, Heat-labile enterotoxin B chain
著者Nakamura, S, Irie, K, Fujiyoshi, Y.
登録日2018-08-31
公開日2019-02-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Morphologic determinant of tight junctions revealed by claudin-3 structures.
Nat Commun, 10, 2019
6AKE
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BU of 6ake by Molmil
Crystal structure of mouse claudin-3 in complex with C-terminal fragment of Clostridium perfringens enterotoxin
分子名称: Claudin-3, Heat-labile enterotoxin B chain
著者Nakamura, S, Irie, K, Fujiyoshi, Y.
登録日2018-08-31
公開日2019-02-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Morphologic determinant of tight junctions revealed by claudin-3 structures.
Nat Commun, 10, 2019
8K5Y
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BU of 8k5y by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
分子名称: (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ...
著者Kamitani, M, Mima, M, Nishikawa-Shimono, R.
登録日2023-07-24
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
8K5V
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BU of 8k5v by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
分子名称: 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ...
著者Kamitani, M, Mima, M, Nishikawa-Shimono, R.
登録日2023-07-24
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
8K5X
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BU of 8k5x by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
分子名称: (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone, CALCIUM ION, CHLORIDE ION, ...
著者Kamitani, M, Mima, M, Nishikawa-Shimono, R.
登録日2023-07-24
公開日2023-12-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
7F5G
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BU of 7f5g by Molmil
The crystal structure of RBD-Nanobody complex, DL4 (SA4)
分子名称: ACETATE ION, GLYCEROL, Nanobody DL4, ...
著者Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D.
登録日2021-06-22
公開日2022-05-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Isolation, characterization, and structure-based engineering of a neutralizing nanobody against SARS-CoV-2.
Int.J.Biol.Macromol., 209, 2022
5I7U
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BU of 5i7u by Molmil
Human DPP4 in complex with a novel tricyclic hetero-cycle inhibitor
分子名称: 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-methyl-6,9-dioxo-5,6,7,9-tetrahydro-1H-imidazo[1,2-a]purin-1-yl}methyl)-4-fluorobenzonitrile, 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Scapin, G.
登録日2016-02-18
公開日2016-06-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Novel Tricyclic Heterocycles as Potent and Selective DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.
Acs Med.Chem.Lett., 7, 2016
7F5H
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BU of 7f5h by Molmil
The crystal structure of RBD-Nanobody complex, DL28 (SC4)
分子名称: GLYCEROL, Nanobody DL28, PHOSPHATE ION, ...
著者Luo, Z.P, Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D.
登録日2021-06-22
公開日2022-06-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Characterization of a Neutralizing Nanobody With Broad Activity Against SARS-CoV-2 Variants.
Front Microbiol, 13, 2022
7KMY
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BU of 7kmy by Molmil
Structure of Mtb Lpd bound to 010705
分子名称: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Lima, C.D.
登録日2020-11-03
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Whole Cell Active Inhibitors of Mycobacterial Lipoamide Dehydrogenase Afford Selectivity over the Human Enzyme through Tight Binding Interactions.
Acs Infect Dis., 7, 2021
2BV8
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BU of 2bv8 by Molmil
The crystal structure of Phycocyanin from Gracilaria chilensis.
分子名称: C-PHYCOCYANIN ALPHA SUBUNIT, C-PHYCOCYANIN BETA SUBUNIT, PHYCOCYANOBILIN, ...
著者Contreras-Martel, C, Martinez-Oyanedel, J, Poo-Caama, G, Bruna, C, Bunster, M.
登録日2005-06-23
公開日2006-08-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The Structure at 2 A Resolution of Phycocyanin from Gracilaria Chilensis and the Energy Transfer Network in a Pc-Pc Complex.
Biophys.Chem., 125, 2007
3X1O
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BU of 3x1o by Molmil
Crystal structure of the ROQ domain of human Roquin
分子名称: IODIDE ION, Roquin-1
著者Ose, T, Verma, A, Cockburn, J.B, Berrow, N.S, Alderton, D, Stuart, D, Owens, R.J, Jones, E.Y.
登録日2014-11-26
公開日2015-03-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献Roquin binds microRNA-146a and Argonaute2 to regulate microRNA homeostasis
Nat Commun, 6, 2015
6CU7
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BU of 6cu7 by Molmil
Alpha Synuclein fibril formed by full length protein - Rod Polymorph
分子名称: Alpha-synuclein
著者Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
登録日2018-03-23
公開日2018-09-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
6CU8
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Alpha Synuclein fibril formed by full length protein - Twister Polymorph
分子名称: Alpha-synuclein
著者Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
登録日2018-03-23
公開日2018-09-12
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
6I8G
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BU of 6i8g by Molmil
Structure of the plant immune signaling node EDS1 (enhanced disease susceptibility 1) in complex with nanobody ENB73
分子名称: EDS1-specific nanobody, Protein EDS1L
著者Niefind, K, Voss, M, Toelzer, C.
登録日2018-11-20
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.344 Å)
主引用文献Arabidopsis immunity regulator EDS1 in a PAD4/SAG101-unbound form is a monomer with an inherently inactive conformation.
J.Struct.Biol., 208, 2019
4MPA
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BU of 4mpa by Molmil
Crystal structure of NHERF1-CXCR2 signaling complex in P21 space group
分子名称: ACETIC ACID, CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1, ...
著者Jiang, Y, Lu, G, Wu, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z.
登録日2013-09-12
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.097 Å)
主引用文献New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping.
Plos One, 8, 2013
6I8H
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BU of 6i8h by Molmil
Structure of the plant immune signaling node EDS1 (enhanced disease susceptibility 1) in complex with nanobody ENB15
分子名称: EDS1-specific nanobody, Protein EDS1L
著者Niefind, K, Voss, M, Toelzer, C.
登録日2018-11-20
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.682 Å)
主引用文献Arabidopsis immunity regulator EDS1 in a PAD4/SAG101-unbound form is a monomer with an inherently inactive conformation.
J.Struct.Biol., 208, 2019
4LMM
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BU of 4lmm by Molmil
Crystal structure of NHERF1 PDZ1 domain complexed with the CXCR2 C-terminal tail in P21 space group
分子名称: ACETIC ACID, CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1
著者Jiang, Y, Lu, G, Wu, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z.
登録日2013-07-10
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping.
Plos One, 8, 2013
4R91
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BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Caldwell, J.P, Strickland, C.
登録日2014-09-03
公開日2014-11-05
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R92
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BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
分子名称: Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R95
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BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium
分子名称: (2E,5R)-5-(2-cyclohexylethyl)-2-imino-3-methyl-5-{[(1S,3R)-3-(quinolin-2-ylamino)cyclohexyl]methyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P, Strickland, C, Caldwell, J.P.
登録日2014-09-03
公開日2014-11-05
最終更新日2014-12-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014

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