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2BBN
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BU of 2bbn by Molmil
SOLUTION STRUCTURE OF A CALMODULIN-TARGET PEPTIDE COMPLEX BY MULTIDIMENSIONAL NMR
分子名称: CALCIUM ION, CALMODULIN, MYOSIN LIGHT CHAIN KINASE
著者Clore, G.M, Bax, A, Ikura, M, Gronenborn, A.M.
登録日1992-07-16
公開日1994-01-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a calmodulin-target peptide complex by multidimensional NMR.
Science, 256, 1992
7PBC
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BU of 7pbc by Molmil
Crystal structure of engineered TCR (796) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide
分子名称: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
著者Simister, P.C, Border, E.C, Vieira, J.F, Pumphrey, N.J.
登録日2021-08-02
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural insights into engineering a T-cell receptor targeting MAGE-A10 with higher affinity and specificity for cancer immunotherapy.
J Immunother Cancer, 10, 2022
1RQJ
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BU of 1rqj by Molmil
Active Conformation of Farnesyl Pyrophosphate Synthase Bound to Isopentyl Pyrophosphate and Risedronate
分子名称: 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranyltranstransferase, ...
著者Hosfield, D.J, Zhang, Y, Dougan, D.R, Brooun, A, Tari, L.W, Swanson, R.V, Finn, J.
登録日2003-12-05
公開日2004-03-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for bisphosphonate-mediated inhibition of isoprenoid biosynthesis
J.Biol.Chem., 279, 2004
5KNH
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BU of 5knh by Molmil
CRYSTAL STRUCTURE OF DARPIN 6G9 IN COMPLEX WITH CYNO IL-13
分子名称: ACETATE ION, DARPIN 6G9, IL13
著者Teplyakov, A, Malia, T, Obmolova, G, Gilliland, G.
登録日2016-06-28
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conformational flexibility of an anti-IL-13 DARPin.
Protein Eng. Des. Sel., 30, 2017
7UT5
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BU of 7ut5 by Molmil
Acinetobacter baumannii dihydroorotate dehydrogenase bound with inhibitor DSM186
分子名称: (4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ...
著者Deng, X, Phillips, M, Tomchick, D.
登録日2022-04-26
公開日2022-12-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Repurposed dihydroorotate dehydrogenase inhibitors with efficacy against drug-resistant Acinetobacter baumannii.
Proc.Natl.Acad.Sci.USA, 119, 2022
1RRD
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BU of 1rrd by Molmil
DNA/RNA HYBRID DUPLEX CONTAINING A PURINE-RICH RNA STRAND, NMR, 10 STRUCTURES
分子名称: DNA (5'-D(*GP*CP*TP*TP*CP*TP*CP*TP*TP*C)-3'), RNA (5'-R(*GP*AP*AP*GP*AP*GP*AP*AP*GP*C)-3')
著者Gyi, J.I, Lane, A.N, Conn, G.L, Brown, T.
登録日1997-10-21
公開日1998-04-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structures of DNA.RNA hybrids with purine-rich and pyrimidine-rich strands: comparison with the homologous DNA and RNA duplexes.
Biochemistry, 37, 1998
1RRR
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BU of 1rrr by Molmil
RNA DUPLEX CONTAINING A PURINE-RICH STRAND, NMR, 10 STRUCTURES
分子名称: RNA (5'-R(*GP*AP*AP*GP*AP*GP*AP*AP*GP*C)-3'), RNA (5'-R(*GP*CP*UP*UP*CP*UP*CP*UP*UP*C)-3')
著者Gyi, J.I, Lane, A.N, Conn, G.L, Brown, T.
登録日1997-10-21
公開日1998-04-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structures of DNA.RNA hybrids with purine-rich and pyrimidine-rich strands: comparison with the homologous DNA and RNA duplexes.
Biochemistry, 37, 1998
5IA0
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BU of 5ia0 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237)
分子名称: 1,2-ETHANEDIOL, Ephrin type-A receptor 2, alisertib
著者Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2016-02-21
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs.
ACS Chem. Biol., 11, 2016
1D4I
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BU of 1d4i by Molmil
HIV-1 protease in complex with the inhibitor BEA425
分子名称: 2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-[(2-HYDROXY-INDAN-1-YL)-AMIDE], HIV-1 PROTEASE
著者Unge, T.
登録日1999-10-04
公開日2002-06-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors.
Eur.J.Biochem., 270, 2003
6YE3
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BU of 6ye3 by Molmil
IL-2 in complex with a Fab fragment from UFKA-20
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chains: A,D,G, Chains: B,E,H, ...
著者Karakus, U, Mittl, P, Boyman, O.
登録日2020-03-23
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Receptor-gated IL-2 delivery by an anti-human IL-2 antibody activates regulatory T cells in three different species.
Sci Transl Med, 12, 2020
6Y1Z
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BU of 6y1z by Molmil
Mouse serotonin 5HT3 receptor in complex with palonosetron
分子名称: (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one, 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Zarkadas, E, Perot, J, Nury, H.
登録日2020-02-14
公開日2020-03-04
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献The Binding of Palonosetron and Other Antiemetic Drugs to the Serotonin 5-HT3 Receptor.
Structure, 28, 2020
5IJI
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BU of 5iji by Molmil
Fragment of nitrate/nitrite sensor histidine kinase NarQ (WT) in symmetric holo state
分子名称: EICOSANE, NITRATE ION, Nitrate/nitrite sensor histidine kinase NarQ
著者Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Popov, A, Gordeliy, V.
登録日2016-03-02
公開日2017-05-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanism of transmembrane signaling by sensor histidine kinases.
Science, 356, 2017
2BE2
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BU of 2be2 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with R221239
分子名称: 4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE, GLYCEROL, MANGANESE (II) ION, ...
著者Himmel, D.M, Das, K, Clark Jr, A.D, Hughes, S.H, Benjahad, A, Oumouch, S, Guillemont, J, Coupa, S, Poncelet, A, Csoka, I, Meyer, C, Andries, K, Nguyen, C.H, Grierson, D.S, Arnold, E.
登録日2005-10-21
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains.
J.Med.Chem., 48, 2005
8BJY
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BU of 8bjy by Molmil
Engineered Fructosyl Peptide Oxidase - X02B mutant
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02B), GLYCEROL
著者Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
登録日2022-11-08
公開日2023-11-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.475 Å)
主引用文献Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
8BLX
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BU of 8blx by Molmil
Engineered Fructosyl Peptide Oxidase - X02A mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02A), ...
著者Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
登録日2022-11-10
公開日2023-11-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
6YJY
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BU of 6yjy by Molmil
Crystal structure of human glutaminyl cyclase in complex with neurotensin 1-5
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTAMINE, Glutaminyl-peptide cyclotransferase, ...
著者Funk, L.M, Sautner, V, Tittmann, K.
登録日2020-04-05
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Hydrazides Are Potent Transition-State Analogues for Glutaminyl Cyclase Implicated in the Pathogenesis of Alzheimer's Disease.
Biochemistry, 59, 2020
8BMU
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BU of 8bmu by Molmil
Engineered Fructosyl Peptide Oxidase - X04 mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X04), ...
著者Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
登録日2022-11-11
公開日2023-11-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
6Y5W
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BU of 6y5w by Molmil
Crystal structure of the envelope glycoprotein complex of Andes virus in a near postfusion conformation
分子名称: Envelope polyprotein,Envelope polyprotein, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Serris, A, Rey, F.A, Guardado-Calvo, P.
登録日2020-02-26
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.
Cell, 183, 2020
2C66
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BU of 2c66 by Molmil
MAO inhibition by rasagiline analogues
分子名称: 4-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN, AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE
著者Binda, C, Hubalek, F, Li, M, Herzig, Y, Sterling, J, Edmondson, D.E, Mattevi, A.
登録日2005-11-07
公開日2006-01-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Binding of Rasagiline-Related Inhibitors to Human Monoamine Oxidases: A Kinetic and Crystallographic Analysis.
J.Med.Chem., 48, 2005
8BLZ
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BU of 8blz by Molmil
Engineered Fructosyl Peptide Oxidase - D02 mutant
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (D02), GLYCEROL, ...
著者Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
登録日2022-11-10
公開日2023-11-22
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Tailoring FPOX enzymes for enhanced stability and expanded substrate recognition.
Sci Rep, 13, 2023
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
分子名称: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Wang, C, Zhang, P, Dong, J.
登録日2016-03-07
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
6Y9A
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BU of 6y9a by Molmil
Structure of full-length CD20 in complex with Obinutuzumab Fab
分子名称: B-lymphocyte antigen CD20, Obinutuzumab Fab Light chain, Obinutuzumab Fab heavy chain
著者Kumar, A, Reyes, N.
登録日2020-03-06
公開日2020-08-26
最終更新日2020-09-16
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Binding mechanisms of therapeutic antibodies to human CD20.
Science, 369, 2020
7PI4
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BU of 7pi4 by Molmil
FAK Protac GSK215 in complex with FAK and pVHL:ElonginC:ElonginB
分子名称: (2S,4R)-4-hydroxy-1-((S)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Chung, C.
登録日2021-08-19
公開日2021-09-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Discovery and Characterisation of Highly Cooperative FAK-Degrading PROTACs.
Angew.Chem.Int.Ed.Engl., 60, 2021
5J40
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BU of 5j40 by Molmil
The X-ray structure of JCV Helicase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, SULFATE ION, ...
著者Ter Haar, E.
登録日2016-03-31
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.
J.Med.Chem., 59, 2016
6YPG
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BU of 6ypg by Molmil
Crystal Structure of CK2alpha with Compound 2 bound to second crystal form
分子名称: 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2020-04-16
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020

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