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5J03
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Crystal Structure of a chimeric Kv7.2 - Kv7.3 proximal C-terminal Domain in Complex with Calmodulin
分子名称: ACETATE ION, CALCIUM ION, Calmodulin, ...
著者Strulovich, R, Hirsch, J.A.
登録日2016-03-26
公開日2016-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into the M-Channel Proximal C-Terminus/Calmodulin Complex.
Biochemistry, 55, 2016
5JGO
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BU of 5jgo by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with allyl (2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl)carbamate
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-04-20
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Carbamate-protected lin-Benzoguanines as promising candidates for improving solubility and membrane permeability
To be published
5IVE
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BU of 5ive by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N8 ( 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile)
分子名称: 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2016-03-20
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5J5X
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BU of 5j5x by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1416
分子名称: 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAL-DAR-DAR-DAR-DAR, SULFATE ION, ...
著者Alam, K.A, Ivan, T, Uri, A, Engh, R.A.
登録日2016-04-04
公開日2016-07-20
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
5J6Q
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BU of 5j6q by Molmil
Cwp8 from Clostridium difficile
分子名称: CHLORIDE ION, Cell wall binding protein cwp8, SULFATE ION
著者Renko, M, Usenik, A, Turk, D.
登録日2016-04-05
公開日2017-02-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The CWB2 Cell Wall-Anchoring Module Is Revealed by the Crystal Structures of the Clostridium difficile Cell Wall Proteins Cwp8 and Cwp6.
Structure, 25, 2017
5J77
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BU of 5j77 by Molmil
Mutant glyceraldehyde dehydrogenase (F34M+S405N) from Thermoplasma acidophilum
分子名称: D-glyceraldehyde dehydrogenase (NADP(+))
著者Iermak, I, Mesters, J.R, Kuta Smatanova, I.
登録日2016-04-06
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of wild-type glyceraldehyde dehydrogenase from Thermoplasma acidophilum in complex with NADP
To Be Published
5J8O
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Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
分子名称: (2R)-1-({3-bromo-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)piperidine-2-carboxylic acid, Programmed cell death 1 ligand 1
著者Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A.
登録日2016-04-08
公開日2016-04-27
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
5J92
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Crystal structure of a putative alpha-ketoglutarate dependent 2,4-D dioxygenase from Burkholderia xenovorans
分子名称: ACETATE ION, FE (II) ION, Putative alpha KG dependent 2,4-D dioxygenase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-04-08
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of a putative alpha-ketoglutarate dependent 2,4-D dioxygenase from Burkholderia xenovorans
to be published
5J9O
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tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 1-(2-(methylamino)-1H-benzo[d]imidazol-6-yl)guanidine
分子名称: CHLORIDE ION, GLYCEROL, N-[2-(methylamino)-1H-benzimidazol-6-yl]guanidine, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-04-10
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Benzimidazole-based Inhibitors as a Novel Scaffold to Inhibit Z.mobilis TGT and Study Protein Flexibility and the Contributions of Active Site Residues to Binding Affinity of lin-Benzopurines.
To be Published
5J9U
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BU of 5j9u by Molmil
Crystal structure of the NuA4 core complex
分子名称: Chromatin modification-related protein EAF6, Chromatin modification-related protein YNG2, Enhancer of polycomb-like protein 1, ...
著者Chen, Z.C, Xu, P.
登録日2016-04-11
公開日2016-10-26
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献The NuA4 Core Complex Acetylates Nucleosomal Histone H4 through a Double Recognition Mechanism
Mol.Cell, 63, 2016
5JGP
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BU of 5jgp by Molmil
Crystal structure of the nitrate/nitrite sensor NarQ fragment bound with iodide ions
分子名称: IODIDE ION, NITRATE ION, Nitrate/nitrite sensor protein NarQ
著者Melnikov, I, Polovinkin, V, Popov, A, Gordeliy, V.
登録日2016-04-20
公開日2017-05-31
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
5IZD
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BU of 5izd by Molmil
Wild-type glyceraldehyde dehydrogenase from Thermoplasma acidophilum in complex with NADP
分子名称: D-glyceraldehyde dehydrogenase (NADP(+)), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Iermak, I, Mesters, J.R, Kuta Smatanova, I.
登録日2016-03-25
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of wild-type glyceraldehyde dehydrogenase from Thermoplasma acidophilum in complex with NADP
To Be Published
5JMR
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BU of 5jmr by Molmil
X-ray structure of the furin inhibitory antibody Nb14
分子名称: CHLORIDE ION, camelid VHH fragment
著者Dahms, S.O, Than, M.E.
登録日2016-04-29
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The structure of a furin-antibody complex explains non-competitive inhibition by steric exclusion of substrate conformers.
Sci Rep, 6, 2016
5J25
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BU of 5j25 by Molmil
Endothiapepsin in complex with fragment 158
分子名称: 2-(4-methylpiperidin-1-yl)-N-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide, ACETATE ION, Endothiapepsin, ...
著者Krimmer, S.G, Heine, A, Klebe, G.
登録日2016-03-29
公開日2017-04-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
5IUY
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BU of 5iuy by Molmil
Structural insights of the outer-membrane channel OprN
分子名称: CHLORIDE ION, FORMIC ACID, Multidrug efflux outer membrane protein OprN, ...
著者Ntsogo, Y, Garnier, C, Phan, G, Monlezun, L, Benas, P, Broutin, I.
登録日2016-03-18
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Xenon for tunnelling analysis of the efflux pump component OprN.
PLoS ONE, 12, 2017
5IVO
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BU of 5ivo by Molmil
BC2 nanobody
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BC2-nanobody
著者Braun, M.B, Stehle, T.
登録日2016-03-21
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Peptides in headlock - a novel high-affinity and versatile peptide-binding nanobody for proteomics and microscopy.
Sci Rep, 6, 2016
5IX6
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BU of 5ix6 by Molmil
X-ray structure of Auoxo3-encapsulated horse spleen apoferritin
分子名称: CADMIUM ION, Ferritin light chain, GOLD ION, ...
著者Ferraro, G, Pontillo, N, Merlino, A.
登録日2016-03-23
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Gold-based drug encapsulation within a ferritin nanocage: X-ray structure and biological evaluation as a potential anticancer agent of the Auoxo3-loaded protein.
Chem.Commun.(Camb.), 52, 2016
5J89
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BU of 5j89 by Molmil
Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor
分子名称: 1,2-ETHANEDIOL, N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide, Programmed cell death 1 ligand 1
著者Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A.
登録日2016-04-07
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
5J8S
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BU of 5j8s by Molmil
Iron-free state of Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
分子名称: CHLORIDE ION, Ferritin, middle subunit, ...
著者Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
登録日2016-04-08
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
5J9N
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BU of 5j9n by Molmil
tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 2-(methylamino)-1H-benzo[d]imidazole-5-carbohydrazide
分子名称: 2-(methylamino)-1H-benzimidazole-5-carbohydrazide, GLYCEROL, Queuine tRNA-ribosyltransferase, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-04-10
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Benzimidazole-based Inhibitors as a Novel Scaffold to Inhibit Z.mobilis TGT and Study Protein Flexibility and the Contributions of Active Site Residues to Binding Affinity of lin-Benzopurines.
To be Published
5J9V
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BU of 5j9v by Molmil
Ten minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P.
登録日2016-04-11
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
5IXC
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BU of 5ixc by Molmil
Human GIVD cytosolic phospholipase A2 in complex with Methyl gamma-Linolenyl Fluorophosphonate
分子名称: BARIUM ION, Cytosolic phospholipase A2 delta, methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
著者Wang, H, Klein, M.G.
登録日2016-03-23
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of Human GIVD Cytosolic Phospholipase A2 Reveals Insights into Substrate Recognition.
J.Mol.Biol., 428, 2016
5JFT
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BU of 5jft by Molmil
Zebra Fish Caspase-3
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ...
著者Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C.
登録日2016-04-19
公開日2016-10-26
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish.
Protein Sci., 25, 2016
5J5O
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BU of 5j5o by Molmil
Translation initiation factor 4E in complex with m7GppppG mRNA 5' cap analog
分子名称: 5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine, Eukaryotic translation initiation factor 4E, GLYCEROL
著者Warminski, M, Nowak, E, Rydzik, A.M, Kowalska, J, Jemielity, J, Nowotny, M.
登録日2016-04-03
公開日2017-05-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.867 Å)
主引用文献mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation.
Nucleic Acids Res., 45, 2017
5JIE
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Crystal structure of the Orsay virus delta protein N-terminal fragment (aa 1~66)
分子名称: Protein delta
著者Fan, Y, Guo, Y, Zhong, W, Tao, Y.J.
登録日2016-04-22
公開日2017-02-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1374 Å)
主引用文献Structure of a pentameric virion-associated fiber with a potential role in Orsay virus entry to host cells.
PLoS Pathog., 13, 2017

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