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8Q93
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Crystal structure of the SARS-COV-2 RBD with neutralizing-VHHs Re30H02 and Re21D01
分子名称: Nanobody Re21D01, Nanobody Re30H02, Spike protein S1
著者Aksu, M, Guttler, T, Rymarenko, O, Gorlich, D.
登録日2023-08-19
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q95
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BU of 8q95 by Molmil
Crystal structure of the SARS-CoV-2 BA.1 RBD with neutralizing-VHHs Ma16B06 and Ma3F05
分子名称: Nanobody Ma16B06, Nanobody Ma3F05, Spike protein S1
著者Aksu, M, Rymarenko, O, Guttler, T, Gorlich, D.
登録日2023-08-19
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q94
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BU of 8q94 by Molmil
Crystal structure of The SARS-COV-2 BA.2.75 RBD with neutralizing-VHHs Re32D03 and Ma3B12
分子名称: Nanobody Ma3B12, Nanobody Re32D03, Spike protein S1
著者Aksu, M, Guttler, T, Gorlich, D.
登録日2023-08-19
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
7OLZ
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BU of 7olz by Molmil
Crystal structure of the SARS-CoV-2 RBD with neutralizing-VHHs Re5D06 and Re9F06
分子名称: 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, Nanobody Re5D06, Nanobody Re9F06, ...
著者Aksu, M, Guttler, T, Gorlich, D.
登録日2021-05-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies.
Embo J., 40, 2021
7ON5
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Crystal structure of the SARS-CoV-2 neutralizing nanobody Re5D06
分子名称: 1,2-ETHANEDIOL, ETHANOL, Nanobody Re5D06
著者Aksu, M, Guttler, T, Gorlich, D.
登録日2021-05-25
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Neutralization of SARS-CoV-2 by highly potent, hyperthermostable, and mutation-tolerant nanobodies.
Embo J., 40, 2021
7P98
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Cyclohex-1-ene-1-carboxyl-CoA dehydrogenase in a substrate-free state
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Short-chain acyl-CoA dehydrogenase
著者Ermler, U, Weidenweber, S, Boll, M.
登録日2021-07-26
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis of Cyclic 1,3-Diene Forming Acyl-Coenzyme A Dehydrogenases.
Chembiochem, 22, 2021
7P9X
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Structure of cyclohex-1-ene-1-carboxyl-CoA dehydrogenase complexed with cyclohex-1-ene-1-carboxyl-CoA
分子名称: 1-monoenoyl-CoA, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Ermler, U, Weidenweber, S, Boll, M.
登録日2021-07-28
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Basis of Cyclic 1,3-Diene Forming Acyl-Coenzyme A Dehydrogenases.
Chembiochem, 22, 2021
7P9A
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Structure of cyclohex-1-ene-1-carboxyl-CoA dehydrogenase complexed with cyclohex-1,5-diene-1-carboxyl-CoA
分子名称: 1,5 Dienoyl-CoA, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Ermler, U, Weidenweber, S, Boll, M.
登録日2021-07-26
公開日2022-07-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Basis of Cyclic 1,3-Diene Forming Acyl-Coenzyme A Dehydrogenases.
Chembiochem, 22, 2021
4Z3L
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BU of 4z3l by Molmil
CRYSTAL STRUCTURE OF BIRCH POLLEN ALLERGEN BET V 1 MUTANT G26L, D69I, P90L, K97I
分子名称: Major pollen allergen Bet v 1-A, SULFATE ION
著者Freier, R, Brandstetter, H.
登録日2015-03-31
公開日2015-11-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Fold stability during endolysosomal acidification is a key factor for allergenicity and immunogenicity of the major birch pollen allergen.
J.Allergy Clin.Immunol., 137, 2016
6RV2
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BU of 6rv2 by Molmil
Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ...
著者Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-05-30
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
6SPX
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Structure of protein kinase CK2 catalytic subunit in complex with the CK2beta-competitive bisubstrate inhibitor ARC1502
分子名称: 8-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]octanoic acid, ARC1502, Casein kinase II subunit alpha
著者Niefind, K, Schnitzler, A.
登録日2019-09-03
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2.
Bioorg.Chem., 96, 2020
6RV4
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BU of 6rv4 by Molmil
Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 2341237
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, POTASSIUM ION, ...
著者Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-05-30
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
6RV3
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BU of 6rv3 by Molmil
Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 1000493
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ...
著者Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2019-05-30
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A lower X-gate in TASK channels traps inhibitors within the vestibule.
Nature, 582, 2020
6SPW
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BU of 6spw by Molmil
Structure of protein kinase CK2 catalytic subunit with the CK2beta-competitive bisubstrate inhibitor ARC3140
分子名称: 8-[4,5,6,7-tetrakis(iodanyl)benzimidazol-1-yl]octanoic acid, ARC3140, Casein kinase II subunit alpha, ...
著者Niefind, K, Schnitzler, A.
登録日2019-09-03
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Unexpected CK2 beta-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2.
Bioorg.Chem., 96, 2020
7XAD
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BU of 7xad by Molmil
Crystal strucutre of PD-L1 and DBL2_02 designed protein binder
分子名称: DBL2_02 binder, Programmed cell death 1 ligand 1
著者Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G.
登録日2022-03-17
公開日2023-04-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
1AUU
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BU of 1auu by Molmil
SOLUTION STRUCTURE OF THE RNA-BINDING DOMAIN OF THE ANTITERMINATOR PROTEIN SACY, NMR, 10 STRUCTURES
分子名称: SACY
著者Kochoyan, M.
登録日1997-09-02
公開日1997-11-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献From genetic to structural characterization of a new class of RNA-binding domain within the SacY/BglG family of antiterminator proteins.
EMBO J., 16, 1997
7ZSD
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BU of 7zsd by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, local
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder
著者Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
登録日2022-05-06
公開日2023-03-01
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7ZSS
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cryo-EM structure of D614 spike in complex with de novo designed binder
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, Spike glycoprotein, ...
著者Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
登録日2022-05-08
公開日2023-03-01
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7ZRV
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BU of 7zrv by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, full map
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, Spike glycoprotein,Envelope glycoprotein, ...
著者Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
登録日2022-05-05
公開日2023-03-08
最終更新日2023-05-24
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
2I2S
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BU of 2i2s by Molmil
Crystal Structure of the porcine CRW-8 rotavirus VP8* carbohydrate-recognising domain
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, GLYCEROL, ...
著者Blanchard, H.
登録日2006-08-16
公開日2007-04-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insight into Host Cell Carbohydrate-recognition by Human and Porcine Rotavirus from Crystal Structures of the Virion Spike Associated Carbohydrate-binding Domain (VP8*)
J.Mol.Biol., 367, 2007
8F73
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BU of 8f73 by Molmil
Crystal structure of Pseudomonas aeruginosa UDP-glucose phosphorylase in complex with UDP-glucose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, MAGNESIUM ION, ...
著者Dirr, L, Fuehring, J.
登録日2022-11-17
公開日2023-11-29
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Tetramerization is essential for the enzymatic function of the Pseudomonas aeruginosa virulence factor UDP-glucose pyrophosphorylase.
Mbio, 15, 2024
3FH5
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Leukotriene A4 Hydrolase complexed with inhibitor (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine.
分子名称: (2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine, ACETATE ION, GLYCEROL, ...
著者Mamat, B, Davies, D.R.
登録日2008-12-08
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FH8
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Leukotriene A4 Hydrolase complexed with inhibitor 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine.
分子名称: 1-[2-(4-benzylphenoxy)ethyl]pyrrolidine, ACETATE ION, IMIDAZOLE, ...
著者Mamat, B, Davies, D.R.
登録日2008-12-09
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
2DWR
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BU of 2dwr by Molmil
Crystal structure of the human Wa rotavirus VP8* carbohydrate-recognising domain
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Outer capsid protein
著者Blanchard, H.
登録日2006-08-16
公開日2007-04-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insight into Host Cell Carbohydrate-recognition by Human and Porcine Rotavirus from Crystal Structures of the Virion Spike Associated Carbohydrate-binding Domain (VP8*)
J.Mol.Biol., 367, 2007
1S6P
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BU of 1s6p by Molmil
CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943
分子名称: 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Arnold, E.
登録日2004-01-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004

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