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1YNQ
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BU of 1ynq by Molmil
aldo-keto reductase AKR11C1 from Bacillus halodurans (holo form)
Descriptor: GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ...
Authors:Marquardt, T, Kostrewa, D, Winkler, F.K, Li, X.D.
Deposit date:2005-01-25
Release date:2005-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High-resolution Crystal Structure of AKR11C1 from Bacillus halodurans: An NADPH-dependent 4-Hydroxy-2,3-trans-nonenal Reductase
J.Mol.Biol., 354, 2005
1YNP
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BU of 1ynp by Molmil
aldo-keto reductase AKR11C1 from Bacillus halodurans (apo form)
Descriptor: GLYCEROL, SODIUM ION, SULFATE ION, ...
Authors:Marquardt, T, Kostrewa, D, Winkler, F.K, Li, X.D.
Deposit date:2005-01-25
Release date:2005-12-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:High-resolution Crystal Structure of AKR11C1 from Bacillus halodurans: An NADPH-dependent 4-Hydroxy-2,3-trans-nonenal Reductase
J.Mol.Biol., 354, 2005
6TNC
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BU of 6tnc by Molmil
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 46
Descriptor: CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
Authors:Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M.
Deposit date:2019-12-06
Release date:2020-05-13
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
6TN9
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BU of 6tn9 by Molmil
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16
Descriptor: Dual specificity protein kinase TTK, [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone
Authors:Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M.
Deposit date:2019-12-06
Release date:2020-05-13
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
2OHF
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BU of 2ohf by Molmil
Crystal structure of human OLA1 in complex with AMPPCP
Descriptor: GTP-binding protein 9, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Marquardt, T, Kostrewa, D.
Deposit date:2007-01-10
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human OLA1 defines an ATPase subfamily in the Obg family of GTP-binding proteins
J.Biol.Chem., 282, 2007
6TNB
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BU of 6tnb by Molmil
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41
Descriptor: (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK
Authors:Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M.
Deposit date:2019-12-06
Release date:2020-05-13
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
6TND
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BU of 6tnd by Molmil
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79
Descriptor: BAY 1217389, Dual specificity protein kinase TTK
Authors:Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M.
Deposit date:2019-12-06
Release date:2020-05-13
Last modified:2020-08-26
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
2CIA
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BU of 2cia by Molmil
human nck2 sh2-domain in complex with a decaphosphopeptide from translocated intimin receptor (tir) of epec
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CYTOPLASMIC PROTEIN NCK2, ISOPROPYL ALCOHOL, ...
Authors:Frese, S, Schubert, W.-D, Findeis, A.C, Marquardt, T, Roske, Y.S, Stradal, T.E.B, Heinz, D.W.
Deposit date:2006-03-17
Release date:2006-04-24
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains.
J.Biol.Chem., 281, 2006
2CI8
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BU of 2ci8 by Molmil
sh2 domain of human nck1 adaptor protein - uncomplexed
Descriptor: CYTOPLASMIC PROTEIN NCK1, PENTAETHYLENE GLYCOL, SULFATE ION
Authors:Frese, S, Schubert, W.-D, Findeis, A.C, Marquardt, T, Roske, Y.S, Stradal, T.E.B, Heinz, D.W.
Deposit date:2006-03-17
Release date:2006-04-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains.
J.Biol.Chem., 281, 2006
2CI9
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BU of 2ci9 by Molmil
Nck1 SH2-domain in complex with a dodecaphosphopeptide from EPEC protein Tir
Descriptor: CYTOPLASMIC PROTEIN NCK1, TRANSLOCATED INTIMIN RECEPTOR
Authors:Frese, S, Schubert, W.-D, Findeis, A.C, Marquardt, T, Roske, Y.S, Stradal, T.E.B, Heinz, D.W.
Deposit date:2006-03-17
Release date:2006-04-24
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains.
J.Biol.Chem., 281, 2006
6M3C
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BU of 6m3c by Molmil
hAPC-h1573 Fab complex
Descriptor: Vitamin K-dependent protein C heavy chain, Vitamin K-dependent protein C light chain, h1573 Fab H chain, ...
Authors:Wang, X, Wang, D, Zhao, X, Egner, U.
Deposit date:2020-03-03
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Targeted inhibition of activated protein C by a non-active-site inhibitory antibody to treat hemophilia.
Nat Commun, 11, 2020
6M3B
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BU of 6m3b by Molmil
hAPC-c25k23 Fab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Vitamin K-dependent protein C heavy chain, Vitamin K-dependent protein C light chain, ...
Authors:Wang, X, Li, L, Zhao, X, Egner, U.
Deposit date:2020-03-03
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeted inhibition of activated protein C by a non-active-site inhibitory antibody to treat hemophilia.
Nat Commun, 11, 2020

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