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5CAL
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BU of 5cal by Molmil
EGFR kinase domain mutant "TMLR" with compound 24
分子名称: 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide, Epidermal growth factor receptor
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
3I8U
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BU of 3i8u by Molmil
Crystal structure of PcyA-181,182-dihydrobiliverdin complex
分子名称: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(Z)-(4-ethyl-3-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Phycocyanobilin:ferredoxin oxidoreductase
著者Hagiwara, Y, Sugishima, M, Fukuyama, K.
登録日2009-07-10
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural insights into vinyl reduction regiospecificity of phycocyanobilin:ferredoxin oxidoreductase (PcyA).
To be Published
3I95
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BU of 3i95 by Molmil
Crystal structure of E76Q mutant PcyA-biliverdin complex
分子名称: BILIVERDINE IX ALPHA, Phycocyanobilin:ferredoxin oxidoreductase
著者Hagiwara, Y, Sugishima, M, Fukuyama, K.
登録日2009-07-10
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural insights into vinyl reduction regiospecificity of phycocyanobilin:ferredoxin oxidoreductase (PcyA).
To be Published
6BF4
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BU of 6bf4 by Molmil
Crystal Structure of HIV-1 Clade AE Strain CNE55 gp120 Core in Complex with Neutralizing Antibody VRC-PG05 that Targets the Center of the Silent Face on the Outer Domain of gp120
分子名称: 1,2-ETHANEDIOL, 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Zhou, T, Kwong, P.D.
登録日2017-10-25
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献A Neutralizing Antibody Recognizing Primarily N-Linked Glycan Targets the Silent Face of the HIV Envelope.
Immunity, 48, 2018
1YW1
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BU of 1yw1 by Molmil
Structure Of Ytnj From Bacillus Subtilis in complex with FMN
分子名称: FLAVIN MONONUCLEOTIDE, PROTEIN YTNJ, alpha-D-glucopyranose
著者Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2005-02-16
公開日2005-03-01
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structure Of Ytnj From Bacillus Subtilis in complex with FMN
To be Published
3MCL
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BU of 3mcl by Molmil
Anti-beta-amyloid antibody c706 fab in space group P21
分子名称: C706 MONOCLONAL HEAVY CHAIN, C706 MONOCLONAL LIGHT CHAIN
著者Teplyakov, A, Obmolova, G, Gilliland, G.L.
登録日2010-03-29
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献His-tag binding by antibody C706 mimics Beta-amyloid recognition.
J.Mol.Recognit., 24, 2010
3O11
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BU of 3o11 by Molmil
Anti-beta-amyloid antibody c706 fab in space group c2
分子名称: C706 HEAVY CHAIN variable region, Ig gamma-1 chain C region chimera, C706 LIGHT CHAIN variable region, ...
著者Teplyakov, A, Obmolova, G, Malia, T, Gilliland, G.L.
登録日2010-07-20
公開日2010-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献His-tag binding by antibody C706 mimics beta-amyloid recognition.
J.Mol.Recognit., 24, 2011
3N85
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BU of 3n85 by Molmil
Crystallographic trimer of HER2 extracellular regions in complex with tryptophan-rich antibody fragment
分子名称: CHLORIDE ION, Fab37 Heavy Chain, Fab37 Light Chain, ...
著者Eigenbrot, C.
登録日2010-05-27
公開日2010-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of the complex between HER2 and an antibody paratope formed by side chains from tryptophan and serine.
J.Mol.Biol., 402, 2010
6E5P
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BU of 6e5p by Molmil
Backbone model based on cryo-EM map at 8.5 A of domain-swapped, glycan-reactive, neutralizing antibody 2G12 bound to HIV-1 Env BG505 DS-SOSIP, which was also bound to CD4-binding site antibody VRC03
分子名称: 2G12 Light chain, 2G12 heavy chain, Envelope glycoprotein gp120, ...
著者Acharya, P, Kwong, P.D.
登録日2018-07-21
公開日2019-02-13
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (8.8 Å)
主引用文献Structural Survey of Broadly Neutralizing Antibodies Targeting the HIV-1 Env Trimer Delineates Epitope Categories and Characteristics of Recognition.
Structure, 27, 2019
2IAK
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BU of 2iak by Molmil
Crystal Structure of a protease resistant fragment of the plakin domain of Bullous Pemphigoid Antigen1 (BPAG1)
分子名称: Bullous pemphigoid antigen 1, isoform 5, SULFATE ION
著者Jefferson, J.J.
登録日2006-09-08
公開日2006-11-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural analysis of the plakin domain of bullous pemphigoid antigen1 (BPAG1) suggests that plakins are members of the spectrin superfamily.
J.Mol.Biol., 366, 2007
1A0K
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BU of 1a0k by Molmil
PROFILIN I FROM ARABIDOPSIS THALIANA
分子名称: PROFILIN
著者Shigeta Junior, R, Huddler, D, Lindberg, U, Schutt, C.E.
登録日1997-12-02
公開日1998-03-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of a major allergen from plants.
Structure, 5, 1997
1AQK
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BU of 1aqk by Molmil
THREE-DIMENSIONAL STRUCTURE OF A HUMAN FAB WITH HIGH AFFINITY FOR TETANUS TOXOID
分子名称: FAB B7-15A2
著者Faber, C, Fan, Z, Edmundson, A.B.
登録日1997-07-30
公開日1998-02-04
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Three-dimensional structure of a human Fab with high affinity for tetanus toxoid.
Immunotechnology, 3, 1998
1AM6
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BU of 1am6 by Molmil
CARBONIC ANHYDRASE II INHIBITOR: ACETOHYDROXAMATE
分子名称: ACETOHYDROXAMIC ACID, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Scolnick, L.R, Clements, A.M, Christianson, D.W.
登録日1997-06-24
公開日1998-06-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel Binding Mode of Hydroxamate Inhibitors to Human Carbonic Anhydrase II
J.Am.Chem.Soc., 119, 1997
1BNT
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BU of 1bnt by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: 3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNU
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BU of 1bnu by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: 3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BN3
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BU of 1bn3 by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: 2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFINAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-31
公開日1999-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNN
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BU of 1bnn by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: 3,,4-DIHYDRO-2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNW
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BU of 1bnw by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: CARBONIC ANHYDRASE, MERCURY (II) ION, N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-06-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
1BNM
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BU of 1bnm by Molmil
CARBONIC ANHYDRASE II INHIBITOR
分子名称: (R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
著者Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W.
登録日1998-07-30
公開日1999-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
6LJ9
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BU of 6lj9 by Molmil
Crystal Structure of Se-Met ASFV pS273R protease
分子名称: Cysteine protease S273R
著者Li, G.B, Liu, X.X, Chen, C, Guo, Y.
登録日2019-12-13
公開日2020-02-26
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Crystal Structure of African Swine Fever Virus pS273R Protease and Implications for Inhibitor Design.
J.Virol., 94, 2020
6LJB
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BU of 6ljb by Molmil
Crystal Structure of ASFV pS273R protease
分子名称: Cysteine protease S273R
著者Li, G.B, Liu, X.X, Chen, C, Guo, Y.
登録日2019-12-13
公開日2020-02-26
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (2.487 Å)
主引用文献Crystal Structure of African Swine Fever Virus pS273R Protease and Implications for Inhibitor Design.
J.Virol., 94, 2020
6MTS
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BU of 6mts by Molmil
Crystal structure of VRC43.03 Fab
分子名称: Antibody VRC43.03 Fab heavy chain, Antibody VRC43.03 Fab light chain
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.437 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MTP
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BU of 6mtp by Molmil
Crystal structure of VRC42.04 Fab in complex with gp41 peptide
分子名称: Antibody VRC42.04 Fab heavy chain, Antibody VRC42.04 Fab light chain, RV217 founder virus gp41 peptide
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.036 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MTO
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BU of 6mto by Molmil
Crystal structure of VRC42.01 Fab in complex with T117-F MPER scaffold
分子名称: Antibody VRC42.01 Fab heavy chain, Antibody VRC42.01 Fab light chain, VRC42 epitope T117-F scaffold
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.634 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MTR
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BU of 6mtr by Molmil
Crystal structure of VRC43.01 Fab
分子名称: Antibody VRC43.01 Fab heavy chain, Antibody VRC43.01 Fab light chain
著者Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D.
登録日2018-10-21
公開日2019-03-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019

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