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5P78
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BU of 5p78 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 305
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.687 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P7N
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BU of 5p7n by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 320
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.647 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
2AYW
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BU of 2ayw by Molmil
Crystal Structure of the complex formed between trypsin and a designed synthetic highly potent inhibitor in the presence of benzamidine at 0.97 A resolution
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID, BENZAMIDINE, ...
著者Sherawat, M, Kaur, P, Perbandt, M, Betzel, C, Slusarchyk, W.A, Bisacchi, G.S, Chang, C, Jacobson, B.L, Einspahr, H.M, Singh, T.P.
登録日2005-09-09
公開日2006-01-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Structure of the complex of trypsin with a highly potent synthetic inhibitor at 0.97 A resolution.
Acta Crystallogr.,Sect.D, 63, 2007
5P7Z
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BU of 5p7z by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 332
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.259 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P8B
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BU of 5p8b by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 344
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.548 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
1HSW
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BU of 1hsw by Molmil
LYSOZYME (MUCOPEPTIDE N-ACETYLMURAMYL HYDROLASE)
分子名称: LYSOZYME
著者Sukumar, N, Biswal, B.K, Vijayan, M.
登録日1998-06-04
公開日1998-08-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of orthorhombic lysozyme grown at basic pH and its low-humidity variant.
Acta Crystallogr.,Sect.D, 55, 1999
5P8N
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BU of 5p8n by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 356
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.488 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
2AYM
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BU of 2aym by Molmil
Solution Structure of Drosophila melanogaster SNF RBD2
分子名称: U1 small nuclear ribonucleoprotein A
著者Cui, G, Li, C, Jin, C, Xia, B.
登録日2005-09-07
公開日2007-02-13
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of Drosophila melanogaster SNF RBD2
To be published
5OYT
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BU of 5oyt by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 4
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.589 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
1WZY
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BU of 1wzy by Molmil
Crystal structure of human ERK2 complexed with a pyrazolopyridazine derivative
分子名称: 1-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, Mitogen-activated protein kinase 1
著者Kinoshita, T.
登録日2005-03-10
公開日2005-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human ERK2 complexed with a pyrazolo[3,4-c]pyridazine derivative
Bioorg.Med.Chem.Lett., 16, 2006
5OZ2
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BU of 5oz2 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 13
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5OZA
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BU of 5oza by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 21
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
2YIQ
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BU of 2yiq by Molmil
Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1322
分子名称: (E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2
著者Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S.
登録日2011-05-16
公開日2011-09-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket.
FEBS Lett., 585, 2011
1HVR
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BU of 1hvr by Molmil
RATIONAL DESIGN OF POTENT, BIOAVAILABLE, NONPEPTIDE CYCLIC UREAS AS HIV PROTEASE INHIBITORS
分子名称: HIV-1 PROTEASE, [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-HEXAHYDRO-5,6-DIHYDROXY-1,3-BIS[2-NAPHTHYL-METHYL]-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPIN-2-ONE
著者Chang, C.-H.
登録日1994-02-14
公開日1995-01-26
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors.
Science, 263, 1994
5OZK
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BU of 5ozk by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 31
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.328 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
2R3P
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BU of 2r3p by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
5OZV
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BU of 5ozv by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 42
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.476 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P08
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BU of 5p08 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 55
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.605 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
5P0O
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BU of 5p0o by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 71
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.328 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
2CPJ
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BU of 2cpj by Molmil
Solution structure of the N-terminal RNA recognition motif of NonO
分子名称: Non-POU domain-containing octamer-binding protein
著者Nagata, T, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-05-19
公開日2005-11-19
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the N-terminal RNA recognition motif of NonO
To be Published
5P13
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BU of 5p13 by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 86
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.399 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
3FLN
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BU of 3fln by Molmil
P38 kinase crystal structure in complex with R1487
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Knapp, M.
登録日2008-12-19
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
5P1I
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BU of 5p1i by Molmil
Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 101
分子名称: endothiapepsin
著者Schiebel, J, Heine, A, Klebe, G.
登録日2016-06-28
公開日2016-08-03
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.338 Å)
主引用文献High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Structure, 24, 2016
3FLY
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BU of 3fly by Molmil
P38 kinase crystal structure in complex with 6-(2,4-difluoro-phenoxy)-2-isopropylamino-8-methyl-8h-pyrido[2,3-d]pyrimidin-7-one
分子名称: 6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase 14
著者Kuglstatter, A, Ghate, M.
登録日2008-12-19
公開日2009-12-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Discovery of Pamapimod, R1503 and R1487 as Orally Bioavailable and Highly Selective Inhibitors of p38 Map Kinase
To be Published
2R3K
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BU of 2r3k by Molmil
Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor
分子名称: 3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine, Cell division protein kinase 2
著者Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S.
登録日2007-08-29
公開日2008-01-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008

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件を2024-08-07に公開中

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