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3FY0
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BU of 3fy0 by Molmil
Crystal structure of PAK1 kinase domain with ruthenium complex DW1
分子名称: Ruthenium pyridocarbazole, Serine/threonine-protein kinase PAK 1
著者Maksimoska, J, Marmorstein, R, Meggers, E.
登録日2009-01-21
公開日2009-03-03
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes
J.Am.Chem.Soc., 130, 2008
3FXZ
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BU of 3fxz by Molmil
Crystal structure of PAK1 kinase domain with ruthenium complex lambda-FL172
分子名称: OCTAHEDRAL RU-PYRIDOCARBAZOLE, Serine/threonine-protein kinase PAK 1
著者Maksimoska, J, Marmorstein, R, Meggers, E.
登録日2009-01-21
公開日2009-02-17
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Targeting Large Kinase Active Site with Rigid, Bulky Octahedral Ruthenium Complexes
J.Am.Chem.Soc., 130, 2008
3BWF
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BU of 3bwf by Molmil
Crystal structure of the human Pim1 in complex with an osmium compound
分子名称: PYRIDOCARBAZOLE CYCLOPENTADIENYL OS(CO) COMPLEX, Proto-oncogene serine/threonine-protein kinase Pim-1, SULFATE ION
著者Maksimoska, J, Filippakopoulos, P, Knapp, S, Meggers, E.
登録日2008-01-09
公開日2008-06-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Similar biological activities of two isostructural ruthenium and osmium complexes.
Chemistry, 14, 2008
4PZT
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BU of 4pzt by Molmil
Crystal structure of p300 histone acetyltransferase domain in complex with an inhibitor, Acetonyl-Coenzyme A
分子名称: DIMETHYL SULFOXIDE, Histone acetyltransferase p300, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-2,2-DIMETHYL-4-OXO-4-{[3-OXO-3-({2-[(2-OXOPROPYL)THIO]ETHYL}AMINO)PROPYL]AMINO}BUTYL DIHYDROGEN DIPHOSPHATE
著者Maksimoska, J, Marmorstein, R.
登録日2014-03-31
公開日2014-06-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the p300 Histone Acetyltransferase Bound to Acetyl-Coenzyme A and Its Analogues.
Biochemistry, 53, 2014
4PZR
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BU of 4pzr by Molmil
Crystal structure of p300 histone acetyltransferase domain in complex with Coenzyme A
分子名称: COENZYME A, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Maksimoska, J, Marmorstein, R.
登録日2014-03-31
公開日2014-06-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structure of the p300 Histone Acetyltransferase Bound to Acetyl-Coenzyme A and Its Analogues.
Biochemistry, 53, 2014
4PZS
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BU of 4pzs by Molmil
Crystal structure of p300 histone acetyltransferase domain in complex with Acetyl-Coenzyme A
分子名称: ACETYL COENZYME *A, DIMETHYL SULFOXIDE, Histone acetyltransferase p300
著者Maksimoska, J, Marmorstein, R.
登録日2014-03-31
公開日2014-06-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structure of the p300 Histone Acetyltransferase Bound to Acetyl-Coenzyme A and Its Analogues.
Biochemistry, 53, 2014
1Z2M
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BU of 1z2m by Molmil
Crystal Structure of ISG15, the Interferon-Induced Ubiquitin Cross Reactive Protein
分子名称: OSMIUM 4+ ION, interferon, alpha-inducible protein (clone IFI-15K)
著者Narasimhan, J, Wang, M, Fu, Z, Klein, J.M, Haas, A.L, Kim, J.J.
登録日2005-03-08
公開日2005-05-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the Interferon-induced Ubiquitin-like Protein ISG15.
J.Biol.Chem., 280, 2005
6NMV
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BU of 6nmv by Molmil
Non-Blocking Fab 218 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 218 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 218 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMT
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BU of 6nmt by Molmil
Non-Blocking Fab 3 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 3 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 3 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMS
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BU of 6nms by Molmil
Blocking Fab 136 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 136 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 136 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMU
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BU of 6nmu by Molmil
Kick-Off Fab 115 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 115 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 115 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
6NMR
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BU of 6nmr by Molmil
Blocking Fab 119 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Fab 119 anti-SIRP-alpha antibody Variable Heavy Chain, Fab 119 anti-SIRP-alpha antibody Variable Light Chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Wibowo, A.S, Carter, J.J, Sim, J.
登録日2019-01-11
公開日2019-08-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery of high affinity, pan-allelic, and pan-mammalian reactive antibodies against the myeloid checkpoint receptor SIRP alpha.
Mabs, 11, 2019
7KPG
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BU of 7kpg by Molmil
Blocking Fab 25 anti-SIRP-alpha antibody in complex with SIRP-alpha Variant 1
分子名称: Heavy chain of Fab 25 anti-SIRP-alpha antibody, Light chain of Fab 25 anti-SIRP-alpha antibody, SULFATE ION, ...
著者Sim, J, Pons, J.
登録日2020-11-11
公開日2020-12-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Targeting the myeloid checkpoint receptor SIRP alpha potentiates innate and adaptive immune responses to promote anti-tumor activity.
J Hematol Oncol, 13, 2020
4DAW
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BU of 4daw by Molmil
Crystal structure of PAK1 kinase domain with the ruthenium phthalimide complex
分子名称: Serine/threonine-protein kinase PAK 1, [1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~][(thioxomethylidene)azanido-kappaN](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium
著者Maksimoska, J, Marmorstein, R.
登録日2012-01-13
公開日2012-03-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The art of filling protein pockets efficiently with octahedral metal complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
5DFP
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BU of 5dfp by Molmil
Crystal structure of PAK1 in complex with an inhibitor compound FRAX1036
分子名称: 6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-8-ethyl-2-{[2-(1-methylpiperidin-4-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, DIMETHYL SULFOXIDE, Serine/threonine-protein kinase PAK 1
著者Maksimoska, J, Marmorstein, R, Wang, W.
登録日2015-08-27
公開日2016-01-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.
Acs Med.Chem.Lett., 6, 2015
4EQC
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BU of 4eqc by Molmil
Crystal structure of PAK1 kinase domain in complex with FRAX597 inhibitor
分子名称: 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, Serine/threonine-protein kinase PAK 1
著者Maksimoska, J, Marmorstein, R.
登録日2012-04-18
公開日2013-08-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献FRAX597, a Small Molecule Inhibitor of the p21-activated Kinases, Inhibits Tumorigenesis of Neurofibromatosis Type 2 (NF2)-associated Schwannomas.
J.Biol.Chem., 288, 2013
2OI4
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BU of 2oi4 by Molmil
Crystal structure of human PIM1 in complex with fluorinated ruthenium pyridocarbazole
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Maksimoska, J, Meggers, E.
登録日2007-01-10
公開日2007-04-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ruthenium half-sandwich complexes as protein kinase inhibitors: derivatization of the pyridocarbazole pharmacophore ligand.
Org.Biomol.Chem., 5, 2007
8RXR
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BU of 8rxr by Molmil
Crystal structure of VPS34 in complex with inhibitor SB02024
分子名称: 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M.
登録日2024-02-07
公開日2024-03-20
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 18, 2024
4RKM
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BU of 4rkm by Molmil
Wolinella succinogenes octaheme sulfite reductase MccA, form I
分子名称: (R,R)-2,3-BUTANEDIOL, ACETATE ION, COPPER (I) ION, ...
著者Hermann, B, Kern, M, La Pietra, L, Simon, J, Einsle, O.
登録日2014-10-13
公開日2015-02-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The octahaem MccA is a haem c-copper sulfite reductase.
Nature, 520, 2015
4RKN
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Wolinella succinogenes octaheme sulfite reductase MccA, form II
分子名称: COPPER (II) ION, DITHIONITE, MccA, ...
著者Hermann, B, Kern, M, La Pietra, L, Simon, J, Einsle, O.
登録日2014-10-13
公開日2015-02-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The octahaem MccA is a haem c-copper sulfite reductase.
Nature, 520, 2015
6G7W
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BU of 6g7w by Molmil
Crystal structure of NHL repeat containing domain of human NHLRC2
分子名称: NHL repeat-containing protein 2
著者Biterova, E, Uusimaa, J, Hinttala, R, Ruddock, L.W.
登録日2018-04-06
公開日2018-09-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献Structural analysis of human NHLRC2, mutations of which are associated with FINCA disease.
PLoS ONE, 13, 2018
6GC1
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Crystal structure of Trx-like and NHL repeat containing domains of human NHLRC2
分子名称: NHL repeat-containing protein 2
著者Biterova, E, Uusimaa, J, Hinttala, R, Ruddock, L.W.
登録日2018-04-16
公開日2018-09-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural analysis of human NHLRC2, mutations of which are associated with FINCA disease.
PLoS ONE, 13, 2018
2YAK
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BU of 2yak by Molmil
Structure of death-associated protein Kinase 1 (dapk1) in complex with a ruthenium octasporine ligand (OSV)
分子名称: DEATH-ASSOCIATED PROTEIN KINASE 1, RUTHENIUM OCTASPORINE 4
著者Feng, L, Geisselbrecht, Y, Blanck, S, Wilbuer, A, Atilla-Gokcumen, G.E, Filippakopoulos, P, Kraeling, K, Celik, M.A, Harms, K, Maksimoska, J, Marmorstein, R, Frenking, G, Knapp, S, Essen, L.-O, Meggers, E.
登録日2011-02-23
公開日2011-04-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structurally Sophisticated Octahedral Metal Complexes as Highly Selective Protein Kinase Inhibitors.
J.Am.Chem.Soc., 133, 2011
1FS8
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CYTOCHROME C NITRITE REDUCTASE FROM WOLINELLA SUCCINOGENES-SULFATE COMPLEX
分子名称: ACETATE ION, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ...
著者Einsle, O, Stach, P, Messerschmidt, A, Simon, J, Kroeger, A, Huber, R, Kroneck, P.M.H.
登録日2000-09-08
公開日2001-01-17
最終更新日2021-03-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Cytochrome c nitrite reductase from Wolinella succinogenes. Structure at 1.6 A resolution, inhibitor binding, and heme-packing motifs.
J.Biol.Chem., 275, 2000
1FS7
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CYTOCHROME C NITRITE REDUCTASE FROM WOLINELLA SUCCINOGENES
分子名称: ACETATE ION, CALCIUM ION, CYTOCHROME C NITRITE REDUCTASE, ...
著者Einsle, O, Stach, P, Messerschmidt, A, Simon, J, Kroeger, A, Huber, R, Kroneck, P.M.H.
登録日2000-09-08
公開日2001-01-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Cytochrome c nitrite reductase from Wolinella succinogenes. Structure at 1.6 A resolution, inhibitor binding, and heme-packing motifs.
J.Biol.Chem., 275, 2000

 

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