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6N7B
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BU of 6n7b by Molmil
Structure of the human JAK1 kinase domain with compound 38
分子名称: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N79
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BU of 6n79 by Molmil
Structure of the human JAK1 kinase domain with compound 20
分子名称: GLYCEROL, N-{5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7C
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BU of 6n7c by Molmil
Structure of the human JAK1 kinase domain with compound 56
分子名称: GLYCEROL, N-[5-(3-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N78
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BU of 6n78 by Molmil
Structure of the human JAK1 kinase domain with compound 21
分子名称: GLYCEROL, N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7A
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BU of 6n7a by Molmil
Structure of the human JAK1 kinase domain with compound 39
分子名称: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N77
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BU of 6n77 by Molmil
Structure of the human JAK1 kinase domain with compound 15
分子名称: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6N7D
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BU of 6n7d by Molmil
Structure of the human JAK1 kinase domain with compound 54
分子名称: GLYCEROL, N-[5-(6-methoxy-1H-indazol-5-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
6T5I
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BU of 6t5i by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2
分子名称: DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ...
著者Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E.
登録日2019-10-16
公開日2021-10-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages.
Plos Pathog., 18, 2022
6UQC
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BU of 6uqc by Molmil
Mouse IgG2a Bispecific Fc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[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Wang, F, Tsai, J.C, Davis, J.H, West, S.M, Strop, P.
登録日2019-10-18
公開日2020-01-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Design and characterization of mouse IgG1 and IgG2a bispecific antibodies for use in syngeneic models.
Mabs, 12, 2019
2ZB0
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BU of 2zb0 by Molmil
Crystal structure of P38 in complex with biphenyl amide inhibitor
分子名称: GLYCEROL, Mitogen-activated protein kinase 14, N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
著者Somers, D.O.
登録日2007-10-13
公開日2008-01-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
1POS
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BU of 1pos by Molmil
CRYSTAL STRUCTURE OF A NOVEL DISULFIDE-LINKED "TREFOIL" MOTIF FOUND IN A LARGE FAMILY OF PUTATIVE GROWTH FACTORS
分子名称: PORCINE PANCREATIC SPASMOLYTIC POLYPEPTIDE
著者De, A, Brown, D, Gorman, M, Carr, M, Sanderson, M.R, Freemont, P.S.
登録日1993-10-08
公開日1994-01-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a disulfide-linked "trefoil" motif found in a large family of putative growth factors.
Proc.Natl.Acad.Sci.USA, 91, 1994
1ABW
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BU of 1abw by Molmil
DEOXY RHB1.1 (RECOMBINANT HEMOGLOBIN)
分子名称: HEMOGLOBIN-BASED BLOOD SUBSTITUTE, LEUCINE, METHIONINE, ...
著者Kundrot, C.E, Kroeger, K.S.
登録日1997-01-29
公開日1998-06-17
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of a hemoglobin-based blood substitute: insights into the function of allosteric proteins.
Structure, 5, 1997
1C7D
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BU of 1c7d by Molmil
DEOXY RHB1.2 (RECOMBINANT HEMOGLOBIN)
分子名称: PROTEIN (DEOXYHEMOGLOBIN (ALPHA CHAIN)), PROTEIN (DEOXYHEMOGLOBIN (BETA CHAIN)), PROTOPORPHYRIN IX CONTAINING FE
著者Brucker, E.A.
登録日2000-02-09
公開日2000-06-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Genetically crosslinked hemoglobin: a structural study.
Acta Crystallogr.,Sect.D, 56, 2000
1C7C
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BU of 1c7c by Molmil
DEOXY RHB1.1 (RECOMBINANT HEMOGLOBIN)
分子名称: PROTEIN (DEOXYHEMOGLOBIN (ALPHA CHAIN)), PROTEIN (DEOXYHEMOGLOBIN (BETA CHAIN)), PROTOPORPHYRIN IX CONTAINING FE
著者Brucker, E.A.
登録日2000-02-09
公開日2000-06-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Genetically crosslinked hemoglobin: a structural study.
Acta Crystallogr.,Sect.D, 56, 2000
1C7B
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BU of 1c7b by Molmil
DEOXY RHB1.0 (RECOMBINANT HEMOGLOBIN)
分子名称: PROTEIN (DEOXYHEMOGLOBIN (ALPHA CHAIN)), PROTEIN (DEOXYHEMOGLOBIN (BETA CHAIN)), PROTOPORPHYRIN IX CONTAINING FE
著者Brucker, E.A.
登録日2000-02-09
公開日2000-06-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Genetically crosslinked hemoglobin: a structural study.
Acta Crystallogr.,Sect.D, 56, 2000
1O1P
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BU of 1o1p by Molmil
Deoxy hemoglobin (A-GLY-C:V1M; B,D:V1M,C93A,N108K)
分子名称: Hemoglobin Alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Brucker, E.A.
登録日2002-11-17
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献

1O1I
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BU of 1o1i by Molmil
Cyanomet hemoglobin (A-GLY-C:V1M,L29F,H58Q; B,D:V1M,L106W)
分子名称: CYANIDE ION, Hemoglobin Alpha chain, Hemoglobin Beta chain, ...
著者Brucker, E.A.
登録日2002-11-19
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献

1O1M
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BU of 1o1m by Molmil
Deoxy hemoglobin (A-GLYGLYGLY-C:V1M,L29F,H58Q B,D:V1M,V67W)
分子名称: Hemoglobin Alpha chain, Hemoglobin Beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Brucker, E.A.
登録日2002-11-17
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献

1O1N
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BU of 1o1n by Molmil
Deoxy hemoglobin (A-GLYGLYGLY-C:V1M,L29W; B,D:V1M)
分子名称: Hemoglobin Alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Brucker, E.A.
登録日2002-11-17
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献

1O1L
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BU of 1o1l by Molmil
Deoxy hemoglobin (A-GLY-C:V1M,L29W,H58Q; B,D:V1M)
分子名称: Hemoglobin Alpha chain, Hemoglobin Beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Brucker, E.A.
登録日2002-11-17
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献

1O1O
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BU of 1o1o by Molmil
Deoxy hemoglobin (A,C:V1M,V62L; B,D:V1M,V67L)
分子名称: Hemoglobin Alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Brucker, E.A.
登録日2002-11-17
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献

1O1K
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BU of 1o1k by Molmil
Deoxy hemoglobin (A,C:V1M; B,D:V1M,V67W)
分子名称: Hemoglobin Alpha chain, Hemoglobin Beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Brucker, E.A.
登録日2002-11-17
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献

1O1J
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BU of 1o1j by Molmil
Deoxy hemoglobin (A-GLY-C:V1M,L29F,H58Q; B,D:V1M,L106W)
分子名称: Hemoglobin Alpha chain, Hemoglobin Beta chain, PROTOPORPHYRIN IX CONTAINING FE
著者Brucker, E.A.
登録日2002-11-17
公開日2002-12-18
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献

4Y76
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Factor Xa complex with GTC000401
分子名称: CALCIUM ION, Coagulation factor X, N~2~-[(6-chloronaphthalen-2-yl)sulfonyl]-N~2~-{(3S)-1-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}glycinamide
著者Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
登録日2015-02-13
公開日2015-09-30
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007
4Y79
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Factor Xa complex with GTC000406
分子名称: (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide, CALCIUM ION, Coagulation factor X, ...
著者Convery, M.A, Young, R.J, Senger, S, Hamblin, J.N, Chan, C, Toomey, J.R, Watson, N.S.
登録日2015-02-13
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.
J. Med. Chem., 50, 2007

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