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5NK1
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BU of 5nk1 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1k
分子名称: 2-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.548 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NK6
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2d
分子名称: Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(4-oxidanylcyclohexyl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.267 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NK5
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 1m
分子名称: 2-[[3-[(3-aminophenyl)carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.329 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NKD
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2i
分子名称: 1,2-ETHANEDIOL, 2-[(3~{R})-1-[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylpyrrolidin-3-yl]ethanoic acid, Ephrin type-A receptor 2
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.408 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NK8
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2f
分子名称: Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NKG
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3d
分子名称: Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-ethyl-5-(piperidin-4-ylcarbamoyl)phenyl]amino]-1,3-thiazole-5-carboxamide
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5H9T
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Crystal structure of native NalD at resolution of 2.9, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa
分子名称: NalD
著者Chen, W.Z, Wang, D, Huang, S.Q, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H.
登録日2015-12-29
公開日2016-04-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa.
Mol. Microbiol., 100, 2016
6E8M
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BU of 6e8m by Molmil
Legionella Longbeachae LeSH (Llo2327) bound to the human DnaJ-A1 pTyr381 peptide
分子名称: DnaJ-A1 pTyr381 peptide, LeSH (Llo2327)
著者Kaneko, T, Li, S.S.C.
登録日2018-07-30
公開日2018-11-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Identification and characterization of a large family of superbinding bacterial SH2 domains.
Nat Commun, 9, 2018
5NK7
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2a
分子名称: Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-[[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]carbamoyl]phenyl]amino]-1,3-thiazole-5-carboxamide
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.889 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NKF
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BU of 5nkf by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 3b
分子名称: Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[[3-(piperidin-4-ylcarbamoyl)-5-(trifluoromethyl)phenyl]amino]-1,3-thiazole-5-carboxamide
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.099 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NK9
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BU of 5nk9 by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2e
分子名称: (2~{Z})-~{N}-(2-chloranyl-6-methyl-phenyl)-2-[3-[(4-methyl-4-oxidanyl-cyclohexyl)carbamoyl]phenyl]imino-1,3-thiazolidine-5-carboxamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.588 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5NKI
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BU of 5nki by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 4b
分子名称: Ephrin type-A receptor 2, ~{N}-(2-chloranyl-6-methyl-phenyl)-2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]-1,3-thiazole-5-carboxamide
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.675 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
6E8I
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Legionella Longbeachae LeSH (Llo2327) bound to phosphotyrosine
分子名称: LeSH (Llo2327), O-PHOSPHOTYROSINE
著者Kaneko, T, Li, S.S.C.
登録日2018-07-29
公開日2018-11-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Identification and characterization of a large family of superbinding bacterial SH2 domains.
Nat Commun, 9, 2018
7VKH
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BU of 7vkh by Molmil
Crystal structure of AF9 YEATS domain in complex with hit 2
分子名称: GLYCEROL, Protein AF-9, ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
著者Liu, Y, Ruan, K.
登録日2021-09-30
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7VKG
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Crystal structure of AF9 YEATS domain in complex with Compound 10
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
著者Liu, Y, Ruan, K.
登録日2021-09-29
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
6E8H
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Legionella Longbeachae LeSH (Llo2327)
分子名称: CHLORIDE ION, LeSH (Llo2327)
著者Kaneko, T, Li, S.S.C.
登録日2018-07-29
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Identification and characterization of a large family of superbinding bacterial SH2 domains.
Nat Commun, 9, 2018
6E8K
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Legionella Longbeachae LeSH (Llo2327) bound to the human interleukin-2 receptor beta pTyr387 peptide
分子名称: LeSH (Llo2327), interleukin-2 receptor beta pTyr387 peptide
著者Kaneko, T, Li, S.S.C.
登録日2018-07-30
公開日2018-11-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Identification and characterization of a large family of superbinding bacterial SH2 domains.
Nat Commun, 9, 2018
6KYF
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BU of 6kyf by Molmil
Crystal structure of an anti-CRISPR protein
分子名称: AcrF11, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Niu, Y, Wang, H, Zhang, Y, Feng, Y.
登録日2019-09-18
公開日2020-09-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献A Type I-F Anti-CRISPR Protein Inhibits the CRISPR-Cas Surveillance Complex by ADP-Ribosylation.
Mol.Cell, 80, 2020
4L72
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BU of 4l72 by Molmil
Crystal structure of MERS-CoV complexed with human DPP4
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, Dipeptidyl peptidase 4, ...
著者Wang, X.Q, Wang, N.S.
登録日2013-06-13
公開日2013-08-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Structure of MERS-CoV spike receptor-binding domain complexed with human receptor DPP4
Cell Res., 23, 2013
6LLX
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Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, Glutathione S-transferase P
著者Ye, K, Li, H, Lei, K.C.
登録日2019-12-24
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma.
J Hematol Oncol, 13, 2020
2ZBS
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BU of 2zbs by Molmil
Crystal structure of human estrogen-related receptor gamma ligand binding domain apo form
分子名称: Estrogen-related receptor gamma
著者Matsushima, A, Kakuta, Y, Teramoto, T, Shimohigashi, Y.
登録日2007-10-27
公開日2008-10-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner
Biochem.Biophys.Res.Commun., 373, 2008
2ZAS
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BU of 2zas by Molmil
Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with 4-alpha-cumylphenol, a bisphenol A derivative
分子名称: 4-(1-methyl-1-phenylethyl)phenol, Estrogen-related receptor gamma, GLYCEROL
著者Matsushima, A, Kakuta, Y, Teramoto, T, Shimohigashi, Y.
登録日2007-10-09
公開日2008-10-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner
Biochem.Biophys.Res.Commun., 373, 2008
6KYW
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S8-mSRK-S8-SP11 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor protein kinase SRK8, S locus protein 11
著者Murase, K, Hakoshima, T, Mori, T.
登録日2019-09-20
公開日2020-09-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.60112739 Å)
主引用文献Mechanism of self/nonself-discrimination in Brassica self-incompatibility.
Nat Commun, 11, 2020
6KZ6
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Crystal structure of ASFV dUTPase
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, E165R, MAGNESIUM ION
著者Guo, Y, Chen, C, Li, G.B, Cao, L, Wang, C.W.
登録日2019-09-23
公開日2019-11-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献Structural Insight into African Swine Fever Virus dUTPase Reveals a Novel Folding Pattern in the dUTPase Family.
J.Virol., 94, 2020
1QT1
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CRYSTAL STRUCTURE OF XYLOSE ISOMERASE FROM STREPTOMYCES DIASTATICUS NO.7 M1033 AT 1.85 A RESOLUTION
分子名称: COBALT (II) ION, PROTEIN (XYLOSE ISOMERASE)
著者Niu, L, Teng, M, Zhu, X.
登録日1999-06-29
公開日2000-06-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of xylose isomerase from Streptomyces diastaticus no. 7 strain M1033 at 1.85 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000

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