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7UJP
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BU of 7ujp by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ...
著者Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C.
登録日2022-03-31
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7UE8
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BU of 7ue8 by Molmil
PANK3 complex structure with compound PZ-3890
分子名称: 1,2-ETHANEDIOL, 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one, ACETATE ION, ...
著者White, S.W, Yun, M, Lee, R.E.
登録日2022-03-21
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Relief of CoA sequestration and restoration of mitochondrial function in a mouse model of propionic acidemia.
J Inherit Metab Dis, 46, 2023
7WNW
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BU of 7wnw by Molmil
Crystal structure of Imine Reductase Mutant(M5) from Actinoalloteichus hymeniacidonis in complex with NADPH
分子名称: 3-hydroxyisobutyrate dehydrogenase-like beta-hydroxyacid dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhand, J, Chen, R, Gao, S.
登録日2022-01-19
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Tuning an Imine Reductase for the Asymmetric Synthesis of Azacycloalkylamines by Concise Structure-Guided Engineering.
Angew.Chem.Int.Ed.Engl., 61, 2022
7WNN
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BU of 7wnn by Molmil
Crystal structure of Imine Reductase from Actinoalloteichus hymeniacidonis in complex with NADPH
分子名称: 3-hydroxyisobutyrate dehydrogenase-like beta-hydroxyacid dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Zhang, J, Chen, R, Gao, S.
登録日2022-01-19
公開日2022-04-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Tuning an Imine Reductase for the Asymmetric Synthesis of Azacycloalkylamines by Concise Structure-Guided Engineering.
Angew.Chem.Int.Ed.Engl., 61, 2022
7KL1
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BU of 7kl1 by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ...
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2020-10-28
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
5IAN
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BU of 5ian by Molmil
Caspase 3 V266N
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3, LEU-SER-SER, ...
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IAE
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BU of 5iae by Molmil
Caspase 3 V266F
分子名称: ACE-ASP-GLU-VAL-ASK, ACETATE ION, CHLORIDE ION, ...
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IBR
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BU of 5ibr by Molmil
Caspase 3 V266K
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-22
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IAG
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BU of 5iag by Molmil
Caspase 3 V266Q
分子名称: ACE-ASP-GLU-VAL-ASK, ASP-ASP-ASP-MET, Caspase-3
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
7KL0
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BU of 7kl0 by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
分子名称: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ...
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2020-10-28
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
5IUZ
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BU of 5iuz by Molmil
STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5)
分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
著者Jang, H.-H, Halpert, J.R, Shah, M.B.
登録日2016-03-18
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry.
Biophys.Chem., 216, 2016
7L5M
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BU of 7l5m by Molmil
Crystal Structure of the DiB-RM-split Protein
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lipocalin family protein, SODIUM ION, ...
著者Bozhanova, N.G, Harp, J.M, Meiler, J.
登録日2020-12-22
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Computational redesign of a fluorogen activating protein with Rosetta.
Plos Comput.Biol., 17, 2021
7L5L
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BU of 7l5l by Molmil
Crystal structure of the DiB-RM protein
分子名称: Lipocalin family protein, SULFATE ION
著者Bozhanova, N.G, Harp, J.M, Meiler, J.
登録日2020-12-22
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Computational redesign of a fluorogen activating protein with Rosetta.
Plos Comput.Biol., 17, 2021
7L5K
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BU of 7l5k by Molmil
Crystal structure of the DiB-RM protein
分子名称: DODECYL-BETA-D-MALTOSIDE, ISOPROPYL ALCOHOL, Lipocalin family protein, ...
著者Bozhanova, N.G, Harp, J.M, Meiler, J.
登録日2020-12-22
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Computational redesign of a fluorogen activating protein with Rosetta.
Plos Comput.Biol., 17, 2021
7L4X
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BU of 7l4x by Molmil
YTH Domain of Human YTHDC1 with dsDNA Comprising Single N6mA joined by two six-bp DNA duplexes in P3221 Crystal
分子名称: 1,2-ETHANEDIOL, YTH domain-containing protein 1, ssDNA w/N6A
著者Horton, J.R, Cheng, X.
登録日2020-12-21
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Human MettL3-MettL14 RNA adenine methyltransferase complex is active on double-stranded DNA containing lesions.
Nucleic Acids Res., 49, 2021
7L4Y
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BU of 7l4y by Molmil
YTH Domain of Human YTHDC1 with dsDNA Comprising Single N6mA joined by Two Six-bp DNA Duplexes in P212121 Crystal
分子名称: 1,2-ETHANEDIOL, YTH domain-containing protein 1, ssDNA 13mer
著者Horton, J.R, Cheng, X.
登録日2020-12-21
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Human MettL3-MettL14 RNA adenine methyltransferase complex is active on double-stranded DNA containing lesions.
Nucleic Acids Res., 49, 2021
5JV3
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BU of 5jv3 by Molmil
The neck-linker and alpha 7 helix of Homo sapiens Eg5 fused to EB1
分子名称: CALCIUM ION, Chimera protein of Kinesin-like protein KIF11 and Microtubule-associated protein RP/EB family member 1
著者Phillips, R.K, Rayment, I.
登録日2016-05-10
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Family-specific Kinesin Structures Reveal Neck-linker Length Based on Initiation of the Coiled-coil.
J.Biol.Chem., 291, 2016
5JVS
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BU of 5jvs by Molmil
The neck-linker + DAL and alpha 7 helix of Drosophila melanogaster Kinesin-1 fused to EB1
分子名称: 1,2-ETHANEDIOL, Chimera protein of Kinesin heavy chain and Microtubule-associated protein RP/EB family member 1, ZINC ION
著者Phillips, R.K, Rayment, I.
登録日2016-05-11
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.248 Å)
主引用文献Family-specific Kinesin Structures Reveal Neck-linker Length Based on Initiation of the Coiled-coil.
J.Biol.Chem., 291, 2016
5JVU
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BU of 5jvu by Molmil
The neck-linker and alpha 7 helix of Drosophila melanogaster kinesin-1 fused to EB1
分子名称: 1,2-ETHANEDIOL, Chimera protein of Kinesin heavy chain and Microtubule-associated protein RP/EB family member 1
著者Phillips, R.K, Rayment, I.
登録日2016-05-11
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Family-specific Kinesin Structures Reveal Neck-linker Length Based on Initiation of the Coiled-coil.
J.Biol.Chem., 291, 2016
5C66
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BU of 5c66 by Molmil
E. Coli Alkaline Phosphatase in complex with tungstate
分子名称: Alkaline phosphatase, TUNGSTATE(VI)ION, ZINC ION
著者Peck, A, Herschlag, D.
登録日2015-06-22
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Tungstate as a Transition State Analog for Catalysis by Alkaline Phosphatase.
J.Mol.Biol., 428, 2016
5JVR
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BU of 5jvr by Molmil
The neck-linker of Mus musculus KIF3A fused to the alpha 7 helix of Drosophila melanogaster Kinesin-1 fused to EB1
分子名称: Chimera protein of mouse KIF3A,fruit fly Kinesin-1 and human EB1
著者Phillips, R.K, Rayment, I.
登録日2016-05-11
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Family-specific Kinesin Structures Reveal Neck-linker Length Based on Initiation of the Coiled-coil.
J.Biol.Chem., 291, 2016
5JVM
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BU of 5jvm by Molmil
The neck-linker and alpha 7 helix of Mus musculus KIF3C
分子名称: Chimera protein of Kinesin-like protein KIF3C and Microtubule-associated protein RP/EB family member 1, MAGNESIUM ION
著者Phillips, R.K, Rayment, I.
登録日2016-05-11
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.567 Å)
主引用文献Family-specific Kinesin Structures Reveal Neck-linker Length Based on Initiation of the Coiled-coil.
J.Biol.Chem., 291, 2016
5KDQ
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BU of 5kdq by Molmil
Deoxyhemoglobin in Complex with an Aryloxyalkanoic acid
分子名称: 3-[2-chloranyl-4-(1~{H}-imidazol-2-yl)phenoxy]propanoic acid, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Ahmed, M.H, Omar, A.M, Safo, M.K.
登録日2016-06-08
公開日2016-06-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Aryloxyalkanoic Acids as Non-Covalent Modifiers of the Allosteric Properties of Hemoglobin.
Molecules, 21, 2016
5CD1
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BU of 5cd1 by Molmil
Structure of an asymmetric tetramer of human tRNA m1A58 methyltransferase in a complex with SAH and tRNA3Lys
分子名称: S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, tRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRMT61A, ...
著者Finer-Moore, J, Czudnochowski, N, O'Connell III, J.D, Wang, A.L, Stroud, R.M.
登録日2015-07-02
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal Structure of the Human tRNA m(1)A58 Methyltransferase-tRNA3(Lys) Complex: Refolding of Substrate tRNA Allows Access to the Methylation Target.
J.Mol.Biol., 427, 2015
5K69
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Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T224
分子名称: (2~{S},3~{R},4~{R})-4-(1~{H}-indol-3-ylsulfanyl)-3-methyl-2-[(2~{S},3~{S})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, GLYCEROL, L,D-transpeptidase 2
著者Lamichhane, G, Ginell, S.L, Kumar, P.
登録日2016-05-24
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017

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