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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
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
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
5M5A
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BU of 5m5a by Molmil
Crystal structure of MELK in complex with an inhibitor
分子名称: CHLORIDE ION, K-252A, Maternal embryonic leucine zipper kinase, ...
著者Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
登録日2016-10-21
公開日2017-12-06
最終更新日2024-05-01
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
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
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
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
6DHD
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BU of 6dhd by Molmil
Bovine glutamate dehydrogenase complexed with NADH, GTP, glutamate
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Smith, T.J.
登録日2018-05-19
公開日2018-07-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of bovine glutamate dehydrogenase complexes elucidate the mechanism of purine regulation.
J. Mol. Biol., 307, 2001
7M66
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BU of 7m66 by Molmil
Targeting Enterococcus faecalis HMG-CoA reductase with a novel non-statin inhibitor
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Bose, S, Steussy, C.N.
登録日2021-03-25
公開日2022-09-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Targeting Enterococcus faecalis HMG-CoA reductase with a non-statin inhibitor.
Commun Biol, 6, 2023
4CIA
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BU of 4cia by Molmil
Crystal structure of cathepsin A, complexed with compound 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, LYSOSOMAL PROTECTIVE PROTEIN, ...
著者Schreuder, H.A, Liesum, A, Kroll, K, Boehnisch, B, Buning, C, Ruf, S, Buning, C, Sadowski, T.
登録日2013-12-06
公開日2014-02-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure of cathepsin A, a novel target for the treatment of cardiovascular diseases.
Biochem. Biophys. Res. Commun., 445, 2014
4CI9
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BU of 4ci9 by Molmil
Crystal structure of cathepsin A, apo-structure
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Schreuder, H.A, Liesum, A, Kroll, K, Boehnisch, B, Buning, C, Ruf, S, Buning, C, Sadowski, T.
登録日2013-12-06
公開日2014-02-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of cathepsin A, a novel target for the treatment of cardiovascular diseases.
Biochem. Biophys. Res. Commun., 445, 2014
4CIB
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BU of 4cib by Molmil
crystal structure of cathepsin a, complexed with compound 2
分子名称: 2-(cyclohexylmethyl)propanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ...
著者Schreuder, H.A, Liesum, A, Kroll, K, Boehnisch, B, Buning, C, Ruf, S, Buning, C, Sadowski, T.
登録日2013-12-06
公開日2014-02-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of cathepsin A, a novel target for the treatment of cardiovascular diseases.
Biochem. Biophys. Res. Commun., 445, 2014
1PGL
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BU of 1pgl by Molmil
BEAN POD MOTTLE VIRUS (BPMV), MIDDLE COMPONENT
分子名称: 5'-R(*AP*GP*UP*CP*UP*C)-3', BEAN POD MOTTLE VIRUS LARGE (L) SUBUNIT, BEAN POD MOTTLE VIRUS SMALL (S) SUBUNIT
著者Lin, T, Cavarelli, J, Johnson, J.E.
登録日2003-05-28
公開日2003-11-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Evidence for assembly-dependent folding of protein and RNA in an icosahedral virus.
Virology, 314, 2003
1PGW
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BU of 1pgw by Molmil
BEAN POD MOTTLE VIRUS (BPMV), TOP COMPONENT
分子名称: BEAN POD MOTTLE VIRUS LARGE (L) SUBUNIT, BEAN POD MOTTLE VIRUS SMALL (S) SUBUNIT
著者Lin, T, Cavarelli, J, Johnson, J.E.
登録日2003-05-28
公開日2003-11-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Evidence for assembly-dependent folding of protein and RNA in an icosahedral virus.
Virology, 314, 2003
6ZX3
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BU of 6zx3 by Molmil
OMPD-domain of human UMPS in complex with 6-thiocarboxamido-UMP at 1.15 Angstroms resolution
分子名称: GLYCEROL, PROLINE, SULFATE ION, ...
著者Tittmann, K, Rindfleisch, S, Schimdt, T.
登録日2020-07-29
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6ZX2
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BU of 6zx2 by Molmil
OMPD-domain of human UMPS in complex with 6-carboxamido-UMP at 1.2 Angstroms resolution
分子名称: PROLINE, SULFATE ION, Uridine 5'-monophosphate synthase, ...
著者Tittmann, K, Rindfleisch, S, Schimdt, T.
登録日2020-07-29
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6ZWZ
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BU of 6zwz by Molmil
Resting state structure of the OMPD-domain of human UMPS variant (K314AcK) at 1.2 Angstroms resolution
分子名称: SULFATE ION, Uridine 5'-monophosphate synthase
著者Tittmann, K, Rindfleisch, S, Krull, M.
登録日2020-07-29
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6ZX1
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BU of 6zx1 by Molmil
OMPD-domain of human UMPS in complex with 6-Aza-UMP at 1.0 Angstroms resolution
分子名称: 6-AZA URIDINE 5'-MONOPHOSPHATE, PROLINE, SULFATE ION, ...
著者Tittmann, K, Rindfleisch, S, Krull, M.
登録日2020-07-29
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6ZWY
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BU of 6zwy by Molmil
OMPD-domain of human UMPS in complex with UMP at 1.0 Angstroms resolution
分子名称: GLYCEROL, PROLINE, URIDINE-5'-MONOPHOSPHATE, ...
著者Tittmann, K, Rindfleisch, S.
登録日2020-07-29
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
6ZX0
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BU of 6zx0 by Molmil
OMPD-domain of human UMPS in complex with the substrate OMP at 1.25 Angstroms resolution
分子名称: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
著者Tittmann, K, Rindfleisch, S, Krull, M.
登録日2020-07-29
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
7AM9
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BU of 7am9 by Molmil
OMPD-domain of human UMPS in complex with the substrate OMP at 0.99 Angstroms resolution
分子名称: GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ...
著者Tittmann, K, Rindfleisch, S, Krull, M.
登録日2020-10-08
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
7ASQ
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BU of 7asq by Molmil
Orotidine 5'-monophosphate decarboxylase-domain of human UMPS in complex with the reaction product UMP at 0.95 Angstrom resolution
分子名称: GLYCEROL, SODIUM ION, SULFATE ION, ...
著者Rindfleisch, S, Rabe von Pappenheim, F.
登録日2020-10-28
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
Nat Catal, 5, 2022
2BBV
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BU of 2bbv by Molmil
THE REFINED THREE-DIMENSIONAL STRUCTURE OF AN INSECT VIRUS AT 2.8 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, PROTEIN (BLACK BEETLE VIRUS CAPSID PROTEIN), RNA (5'-R(*UP*CP*UP*UP*AP*UP*AP*UP*CP*U)-3')
著者Wery, J.-P, Reddy, V.S, Hosur, M.V, Johnson, J.E.
登録日1994-06-06
公開日1994-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The refined three-dimensional structure of an insect virus at 2.8 A resolution.
J.Mol.Biol., 235, 1994
4NTF
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BU of 4ntf by Molmil
Mus Musculus LTC4 synthase in S-hexyl-GSH complex form
分子名称: Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ...
著者Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
登録日2013-12-02
公開日2015-01-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献To be published
To be Published
4JRZ
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BU of 4jrz by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
分子名称: Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ...
著者Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
登録日2013-03-22
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014

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