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4OS4
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BU of 4os4 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK603 (bicyclic 1)
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Chen, S, Pojer, F, Heinis, C.
登録日2014-02-12
公開日2014-09-24
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
6PCD
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BU of 6pcd by Molmil
Crystal structure of beta-ketoadipyl-CoA thiolase mutant (C90S-H356A) in complex Octanoyl coenzyme A
分子名称: Beta-ketoadipyl-CoA thiolase, CHLORIDE ION, COENZYME A, ...
著者Sukritee, B, Panjikar, S.
登録日2019-06-17
公開日2020-05-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structural basis for differentiation between two classes of thiolase: Degradative vs biosynthetic thiolase.
J Struct Biol X, 4, 2020
6OTA
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BU of 6ota by Molmil
THREE-DIMENSIONAL STRUCTURE IN SOLUTION OF THE RIBBON DISULFIDE ISOMER OF THE NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONIST ALPHA-CONOTOXIN TxIA
分子名称: Alpha-conotoxin TxIA
著者Clark, R.J, Nicke, A.
登録日2019-05-02
公開日2020-05-06
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Structural and functional analysis of E. Coli-expressed 4/7 alpha-conotoxin analogues reveals preferential formation of ribbon isomers
To Be Published
6PCA
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BU of 6pca by Molmil
Crystal structure of beta-ketoadipyl-CoA thiolase
分子名称: ACETATE ION, Beta-ketoadipyl-CoA thiolase, CHLORIDE ION, ...
著者Sukritee, B, Panjikar, S.
登録日2019-06-17
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural basis for differentiation between two classes of thiolase: Degradative vs biosynthetic thiolase.
J Struct Biol X, 4, 2020
4OS2
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BU of 4os2 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK602 (bicyclic 1)
分子名称: ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ...
著者Chen, S, Pojer, F, Heinis, C.
登録日2014-02-12
公開日2014-09-24
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
4OS7
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BU of 4os7 by Molmil
Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK607 (bicyclic)
分子名称: ACETATE ION, GLYCEROL, SULFATE ION, ...
著者Chen, S, Pojer, F, Heinis, C.
登録日2014-02-12
公開日2014-09-24
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides.
Nat Chem, 6, 2014
5TQG
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BU of 5tqg by Molmil
Factor VIIa in complex with the inhibitor (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione
分子名称: (5R,11R)-11-[(1-amino-4-fluoroisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-7-(2,2-difluoroethoxy)-5,13-dimethyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A.
登録日2016-10-24
公開日2017-02-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors.
ACS Med Chem Lett, 8, 2017
2D3S
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BU of 2d3s by Molmil
Crystal Structure of basic winged bean lectin with Tn-antigen
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Basic agglutinin, ...
著者Kulkarni, K.A, Sinha, S, Katiyar, S, Surolia, A, Vijayan, M, Suguna, K.
登録日2005-10-01
公開日2006-01-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural basis for the specificity of basic winged bean lectin for the Tn-antigen: a crystallographic, thermodynamic and modelling study
Febs Lett., 579, 2005
5TQF
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BU of 5tqf by Molmil
Factor VIIa in complex with the inhibitor (11R)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione
分子名称: (11R)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A.
登録日2016-10-24
公開日2017-02-01
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors.
ACS Med Chem Lett, 8, 2017
2DU1
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BU of 2du1 by Molmil
Crystal Structure of basic winged bean lectin in complex with Methyl-alpha-N-acetyl-D galactosamine
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, Basic agglutinin, ...
著者Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M, Suguna, K.
登録日2006-07-19
公開日2006-11-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the carbohydrate-specificity of basic winged-bean lectin and its differential affinity for Gal and GalNAc
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
4QY9
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BU of 4qy9 by Molmil
X-ray structure of the adduct between hen egg white lysozyme and Auoxo3, a cytotoxic gold(III) compound
分子名称: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ...
著者Russo Krauss, I, Merlino, A.
登録日2014-07-24
公開日2014-11-05
最終更新日2014-11-19
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Interactions of gold-based drugs with proteins: the structure and stability of the adduct formed in the reaction between lysozyme and the cytotoxic gold(iii) compound Auoxo3.
Dalton Trans, 43, 2014
2DTY
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BU of 2dty by Molmil
Crystal structure of basic winged bean lectin complexed with N-acetyl-D-galactosamine
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Basic agglutinin, CALCIUM ION, ...
著者Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M, Suguna, K.
登録日2006-07-19
公開日2006-11-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural basis for the carbohydrate-specificity of basic winged-bean lectin and its differential affinity for Gal and GalNAc
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2DTW
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BU of 2dtw by Molmil
Crystal Structure of basic winged bean lectin in complex with 2Me-O-D-Galactose
分子名称: 2-O-methyl-alpha-D-galactopyranose, 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Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M, Suguna, K.
登録日2006-07-18
公開日2006-11-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis for the carbohydrate-specificity of basic winged-bean lectin and its differential affinity for Gal and GalNAc
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2DU0
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BU of 2du0 by Molmil
Crystal structure of basic winged bean lectin in complex with Alpha-D-galactose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Basic agglutinin, CALCIUM ION, ...
著者Kulkarni, K.A, Katiyar, S, Surolia, A, Vijayan, M, Suguna, K.
登録日2006-07-19
公開日2006-11-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for the carbohydrate-specificity of basic winged-bean lectin and its differential affinity for Gal and GalNAc
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
4QUC
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BU of 4quc by Molmil
Crystal structure of chromodomain of Rhino
分子名称: RE36324p
著者Li, S, Patel, D.J.
登録日2014-07-10
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Transgenerationally inherited piRNAs trigger piRNA biogenesis by changing the chromatin of piRNA clusters and inducing precursor processing.
Genes Dev., 28, 2014
5USJ
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BU of 5usj by Molmil
Crystal Structure of human KRAS G12D mutant in complex with GDPNP
分子名称: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L.
登録日2017-02-13
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
4QUF
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BU of 4quf by Molmil
crystal structure of chromodomain of Rhino with H3K9me3
分子名称: H3(1-15)K9me3 peptide, RE36324p
著者Li, S, Patel, D.J.
登録日2014-07-10
公開日2014-08-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Transgenerationally inherited piRNAs trigger piRNA biogenesis by changing the chromatin of piRNA clusters and inducing precursor processing.
Genes Dev., 28, 2014
5TQE
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BU of 5tqe by Molmil
Factor VIIa in complex with the inhibitor (5R)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione
分子名称: (5R)-5-[(1-aminoisoquinolin-6-yl)amino]-19-(cyclopropylsulfonyl)-3-methyl-13-oxa-3,15-diazatricyclo[14.3.1.1~6,10~]henicosa-1(20),6(21),7,9,16,18-hexaene-4,14-dione, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A.
登録日2016-10-24
公開日2017-02-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors.
ACS Med Chem Lett, 8, 2017
5US4
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BU of 5us4 by Molmil
Crystal structure of human KRAS G12D mutant in complex with GDP
分子名称: GLYCEROL, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Tran, T, Kaplan, A, Stockwell, B.R, Tong, L.
登録日2017-02-13
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
5WO4
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BU of 5wo4 by Molmil
JAK1 complexed with compound 28
分子名称: 3-[(4-chloro-3-methoxyphenyl)amino]-1-[(3R,4S)-4-cyanooxan-3-yl]-1H-pyrazole-4-carboxamide, Tyrosine-protein kinase JAK1
著者Lesburg, C.A, Patel, S.B.
登録日2017-08-01
公開日2017-12-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The Discovery of 3-((4-Chloro-3-methoxyphenyl)amino)-1-((3R,4S)-4-cyanotetrahydro-2H-pyran-3-yl)-1H-pyrazole-4-carboxamide, a Highly Ligand Efficient and Efficacious Janus Kinase 1 Selective Inhibitor with Favorable Pharmacokinetic Properties.
J. Med. Chem., 60, 2017
8DY2
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BU of 8dy2 by Molmil
Crystal Structure of spFv GLK1
分子名称: SULFATE ION, spFv GLK1 LH
著者Luo, J, Boucher, L.E.
登録日2022-08-03
公開日2023-05-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY4
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BU of 8dy4 by Molmil
Crystal Structure of spFv CAT2200 HL
分子名称: spFv CAT2200 HL
著者Luo, J, Boucher, L.E.
登録日2022-08-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY0
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BU of 8dy0 by Molmil
Crystal Structure of spFv GLK1 HL
分子名称: spFv GLK1 HL
著者Luo, J, Boucher, L.E.
登録日2022-08-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY5
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BU of 8dy5 by Molmil
Crystal Structure of spFv CAT2200 LH in complex with IL-17A
分子名称: CALCIUM ION, CHLORIDE ION, Interleukin-17A, ...
著者Luo, J, Boucher, L.E.
登録日2022-08-03
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY3
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BU of 8dy3 by Molmil
Crystal Structure of spFv GLK2 HL
分子名称: SULFATE ION, spFv GLK2 HL
著者Luo, J, Boucher, L.E.
登録日2022-08-03
公開日2023-05-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.509 Å)
主引用文献"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023

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件を2024-11-06に公開中

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