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5ENP
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BU of 5enp by Molmil
MBX2931 bound structure of bacterial efflux pump.
分子名称: 6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile, DARPin, Multidrug efflux pump subunit AcrB,Multidrug efflux pump subunit AcrB
著者Sjuts, H, Ornik, A.R, Pos, K.M.
登録日2015-11-09
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives.
Proc.Natl.Acad.Sci.USA, 113, 2016
5ENQ
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BU of 5enq by Molmil
MBX3132 bound structure of bacterial efflux pump.
分子名称: DARPin, Multidrug efflux pump subunit AcrB,Multidrug efflux pump subunit AcrB, ~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]ethanamide
著者Sjuts, H, Ornik, A.R, Pos, K.M.
登録日2015-11-09
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives.
Proc.Natl.Acad.Sci.USA, 113, 2016
5ENT
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BU of 5ent by Molmil
Minocycline bound structure of bacterial efflux pump.
分子名称: (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, DARPin, DI(HYDROXYETHYL)ETHER, ...
著者Sjuts, H, Ornik, A.R, Pos, K.M.
登録日2015-11-09
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives.
Proc.Natl.Acad.Sci.USA, 113, 2016
5ENR
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BU of 5enr by Molmil
MBX3135 bound structure of bacterial efflux pump.
分子名称: DARPin, Multidrug efflux pump subunit AcrB,Multidrug efflux pump subunit AcrB, ~{N}-[4-[2-[[5-cyano-8-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]prop-2-enamide
著者Sjuts, H, Ornik, A.R, Pos, K.M.
登録日2015-11-09
公開日2016-04-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis for inhibition of AcrB multidrug efflux pump by novel and powerful pyranopyridine derivatives.
Proc.Natl.Acad.Sci.USA, 113, 2016
7K43
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BU of 7k43 by Molmil
SARS-CoV-2 spike in complex with the S2M11 neutralizing antibody Fab fragment
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, S2M11 Fab fragment (heavy chain), ...
著者Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-14
公開日2020-10-07
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
7K4N
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BU of 7k4n by Molmil
SARS-CoV-2 spike in complex with the S2E12 neutralizing antibody Fab fragment
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, S2E12 neutralizing antibody Fab fragment (heavy chain), ...
著者Tortorici, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-15
公開日2020-10-07
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
7K45
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BU of 7k45 by Molmil
SARS-CoV-2 spike in complex with the S2E12 neutralizing antibody Fab fragment (local refinement of the RBD and Fab variable domains)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2E12 neutralizing antibody Fab fragment (heavy chain), S2E12 neutralizing antibody Fab fragment (light chain), ...
著者Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2020-09-14
公開日2020-10-07
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
7K3Q
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BU of 7k3q by Molmil
An ultra-potent human neutralizing antibody locks the SARS-CoV-2 spike in the closed conformation
分子名称: 1,2-ETHANEDIOL, Fab fragment of S2E12 monoclonal antibody, heavy chain, ...
著者Snell, G, Czudnochowski, N, Ng, C.
登録日2020-09-12
公開日2020-10-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
5DRB
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BU of 5drb by Molmil
Crystal structure of WNK1 in complex with WNK463
分子名称: N-tert-butyl-1-(1-{5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl}piperidin-4-yl)-1H-imidazole-5-carboxamide, Serine/threonine-protein kinase WNK1
著者Kohls, D, Xie, X.
登録日2015-09-15
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Small-molecule WNK inhibition regulates cardiovascular and renal function.
Nat.Chem.Biol., 12, 2016
1V8Q
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BU of 1v8q by Molmil
Crystal structure of ribosomal protein L27 from Thermus thermophilus HB8
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TT0826
著者Wang, H, Takemoto-Hori, C, Murayama, K, Terada, T, Shirouzu, M, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-01-13
公開日2004-07-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of ribosomal protein L27 from Thermus thermophilus HB8
Protein Sci., 13, 2004
8SOJ
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BU of 8soj by Molmil
Cryo-EM structure of human CST bound to POT1(ESDL)/TPP1 in the absence of telomeric ssDNA
分子名称: CST complex subunit CTC1, CST complex subunit STN1, CST complex subunit TEN1, ...
著者Cai, S.W.
登録日2023-04-28
公開日2023-06-07
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献POT1 recruits and regulates CST-Pol alpha /Primase at human telomeres.
Biorxiv, 2023
8SOK
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BU of 8sok by Molmil
Cryo-EM structure of human CST bound to POT1(ESDL)/TPP1 in the presence of telomeric ssDNA
分子名称: CST complex subunit CTC1, CST complex subunit STN1, CST complex subunit TEN1, ...
著者Cai, S.W.
登録日2023-04-28
公開日2023-06-07
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献POT1 recruits and regulates CST-Pol alpha /Primase at human telomeres.
Biorxiv, 2023
7ZSO
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BU of 7zso by Molmil
human purine nucleoside phosphorylase in complex with JS-554
分子名称: GLYCEROL, Purine nucleoside phosphorylase, SODIUM ION, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-07
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSL
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BU of 7zsl by Molmil
human purine nucleoside phosphorylase in complex with JS-196
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Purine nucleoside phosphorylase, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-07
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSM
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BU of 7zsm by Molmil
human purine nucleoside phosphorylase in complex with JS-375
分子名称: CHLORIDE ION, Purine nucleoside phosphorylase, SULFATE ION, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-07
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSQ
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BU of 7zsq by Molmil
human purine nucleoside phosphorylase in complex with JS-555
分子名称: 1,2-ETHANEDIOL, 6-tungstotellurate(VI), DI(HYDROXYETHYL)ETHER, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-08
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSR
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BU of 7zsr by Molmil
purine nucleoside phosphorylase in complex with JS-379
分子名称: ACETATE ION, Purine nucleoside phosphorylase, [(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-08
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSN
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BU of 7zsn by Molmil
human purine nucleoside phosphorylase in complex with JS-379
分子名称: 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SULFATE ION, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-07
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZSP
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BU of 7zsp by Molmil
human purine nucleoside phosphorylase in complex with JS-555
分子名称: 6-tungstotellurate(VI), Purine nucleoside phosphorylase, SODIUM ION, ...
著者Djukic, S, Pachl, P, Rezacova, P.
登録日2022-05-08
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
J.Med.Chem., 66, 2023
7ZOI
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BU of 7zoi by Molmil
Carbohydrate binding domain CBM92-A from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588
分子名称: Glycoside hydrolase family 18
著者Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J.
登録日2022-04-25
公開日2023-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
7ZOO
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BU of 7zoo by Molmil
Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with gentiobiose
分子名称: Glycoside hydrolase family 18, beta-D-glucopyranose
著者Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J.
登録日2022-04-26
公開日2023-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
7ZON
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BU of 7zon by Molmil
Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with glucose
分子名称: Glycoside hydrolase family 18, PENTAETHYLENE GLYCOL, beta-D-glucopyranose
著者Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J.
登録日2022-04-26
公開日2023-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
7ZOH
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BU of 7zoh by Molmil
Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588
分子名称: Glycoside hydrolase family 18
著者Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J.
登録日2022-04-25
公開日2023-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
7ZOP
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BU of 7zop by Molmil
Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with sophorose.
分子名称: Glycoside hydrolase family 18, beta-D-glucopyranose
著者Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J.
登録日2022-04-26
公開日2023-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
8A5X
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BU of 8a5x by Molmil
Crystal structure of phosphatidyl inositol 4-kinase II beta in complex with MM1373
分子名称: 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide, Phosphatidylinositol 4-kinase type 2-beta,Endolysin
著者Klima, M, Boura, E.
登録日2022-06-16
公開日2022-10-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and modular synthesis of novel PI4K class II inhibitors bearing a 4-aminoquinazoline scaffold.
Bioorg.Med.Chem.Lett., 76, 2022

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