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5MAF
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BU of 5maf by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase, ...
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAI
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BU of 5mai by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, DIMETHYL SULFOXIDE, Maternal embryonic leucine zipper kinase
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
1O5M
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BU of 1o5m by Molmil
Structure of FPT bound to the inhibitor SCH66336
分子名称: 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, FARNESYL DIPHOSPHATE, Protein farnesyltransferase alpha subunit, ...
著者Strickland, C.L, Weber, P.C, Ganguly, A.K.
登録日2003-09-26
公開日2003-10-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tricyclic Farnesyl Protein Transferase Inhibitors: Crystallographic and Calorimetric Studies of Structure-Activity Relationships
J.Med.Chem., 42, 1999
5MAH
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BU of 5mah by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: CHLORIDE ION, GLYCEROL, Maternal embryonic leucine zipper kinase, ...
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5MAG
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BU of 5mag by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Maternal embryonic leucine zipper kinase, ...
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-11-03
公開日2017-12-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
6ZXR
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BU of 6zxr by Molmil
Crystal structure of the KDEL receptor bound to RDEL peptide at pH 6.0
分子名称: ALA-GLU-ARG-ASP-GLU-LEU, ER lumen protein-retaining receptor 2
著者Newstead, S, Parker, J.L.
登録日2020-07-30
公開日2021-02-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A signal capture and proofreading mechanism for the KDEL-receptor explains selectivity and dynamic range in ER retrieval.
Elife, 10, 2021
7BP4
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BU of 7bp4 by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: ASP-ASP-ASP-ASP-TYR, GLYCEROL, Histone H2A.6, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BP6
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BU of 7bp6 by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: Histone H2A.6, Histone H2B.1, NRP1-CTAD
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BP2
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BU of 7bp2 by Molmil
Structural mechanism directing nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: GLYCEROL, Histone H2A.6, Histone H2B.1, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
7BP5
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BU of 7bp5 by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
分子名称: ASN-ASP-PRO-ASP-TYR, GLYCEROL, Histone H2A.6, ...
著者Luo, Q, Baihui, W.
登録日2020-03-21
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NPY
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BU of 6npy by Molmil
Cryo-EM structure of NLRP3 bound to NEK7
分子名称: ADENOSINE-5'-DIPHOSPHATE, NACHT, LRR and PYD domains-containing protein 3, ...
著者Sharif, H, Wang, L, Wang, W.L, Wu, H.
登録日2019-01-18
公開日2019-06-19
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural mechanism for NEK7-licensed activation of NLRP3 inflammasome.
Nature, 570, 2019
8TL6
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BU of 8tl6 by Molmil
Cryo-EM structure of DDB1deltaB-DDA1-DCAF5
分子名称: DDB1- and CUL4-associated factor 5, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1
著者Yue, H, Hunkeler, M, Roy Burman, S.S, Fischer, E.S.
登録日2023-07-26
公開日2024-04-03
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (2.63 Å)
主引用文献Targeting DCAF5 suppresses SMARCB1-mutant cancer by stabilizing SWI/SNF.
Nature, 628, 2024
9AVK
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BU of 9avk by Molmil
Structure of long Rib domain from Limosilactobacillus reuteri
分子名称: SODIUM ION, THIOCYANATE ION, YSIRK signal domain/LPXTG anchor domain surface protein
著者Xue, Y, Kang, X.
登録日2024-03-04
公開日2024-05-08
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Crystal structure of the long Rib domain of the LPXTG-anchored surface protein from Limosilactobacillus reuteri.
Acta Crystallogr.,Sect.F, 80, 2024
4HRV
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BU of 4hrv by Molmil
Crystal Structure of Lipoprotein GNA1162 from Neisseria meningitidis
分子名称: Putative lipoprotein GNA1162
著者Lin, Z, Cai, X, Shen, Y.
登録日2012-10-28
公開日2013-04-24
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure of Neisseria meningitidis lipoprotein GNA1162
Acta Crystallogr.,Sect.F, 69, 2013
3B5R
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BU of 3b5r by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-31
分子名称: (2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-26
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B66
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BU of 3b66 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-21
分子名称: 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-27
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B67
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BU of 3b67 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM C-23
分子名称: (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-27
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B65
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BU of 3b65 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-24
分子名称: (2S)-N-(4-cyano-3-iodophenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-27
公開日2008-09-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
3B68
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BU of 3b68 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-4
分子名称: (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide, Androgen receptor
著者Bohl, C.E, Miller, D.D, Dalton, J.T.
登録日2007-10-27
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
2A5M
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BU of 2a5m by Molmil
NMR structure of murine gamma-S crystallin from joint refinement with SAXS data
分子名称: Gamma crystallin S
著者Grishaev, A, Wu, J, Trewhella, J, Bax, A.
登録日2005-06-30
公開日2005-07-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Refinement of Multidomain Protein Structures by Combination of Solution Small-Angle X-ray Scattering and NMR Data.
J.Am.Chem.Soc., 127, 2005
5KYJ
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BU of 5kyj by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: (6~{R})-5-(5-fluoranyl-2-methoxy-pyrimidin-4-yl)-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole, Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5KYA
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BU of 5kya by Molmil
Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core
分子名称: Oxysterols receptor LXR-beta, Retinoic acid receptor RXR-beta, [2-[(6~{R})-2-(3-methylsulfonylphenyl)-6-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanol
著者Chen, G, McKeever, B.M.
登録日2016-07-21
公開日2016-09-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.598 Å)
主引用文献Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core.
Bioorg.Med.Chem.Lett., 26, 2016
5LBW
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BU of 5lbw by Molmil
Structure of the human quinone reductase 2 (NQO2) in complex with volitinib
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ZINC ION, ...
著者Schneider, S, Medard, G, Kuester, B.
登録日2016-06-17
公開日2017-11-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5LBY
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BU of 5lby by Molmil
Structure of the human quinone reductase 2 (NQO2) in complex with crenolanib
分子名称: 1-(2-{5-[(3-Methyloxetan-3-yl)methoxy]-1H-benzimidazol-1-yl}quinolin-8-yl)piperidin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Schneider, S, Medard, G, Kuester, B.
登録日2016-06-17
公開日2017-11-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017
5LBZ
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BU of 5lbz by Molmil
Structure of the human quinone reductase 2 (NQO2) in complex with pacritinib
分子名称: 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
著者Schneider, S, Medard, G, Kuster, B.
登録日2016-06-17
公開日2017-11-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The target landscape of clinical kinase drugs.
Science, 358, 2017

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