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5IJI
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Fragment of nitrate/nitrite sensor histidine kinase NarQ (WT) in symmetric holo state
分子名称: EICOSANE, NITRATE ION, Nitrate/nitrite sensor histidine kinase NarQ
著者Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Popov, A, Gordeliy, V.
登録日2016-03-02
公開日2017-05-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanism of transmembrane signaling by sensor histidine kinases.
Science, 356, 2017
5I15
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BU of 5i15 by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV1-69/IGKV1-39
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FAB HEAVY CHAIN, FAB LIGHT CHAIN
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
5I1I
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BU of 5i1i by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-53/IGKV4-1
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
5K8P
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BU of 5k8p by Molmil
Zn2+/Tetrahedral intermediate-bound R289A 5-nitroanthranilate aminohydrolase
分子名称: (6~{R})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid, 5-nitroanthranilic acid aminohydrolase, GLYCEROL, ...
著者Kalyoncu, S.
登録日2016-05-30
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Enzymatic hydrolysis by transition-metal-dependent nucleophilic aromatic substitution.
Nat.Chem.Biol., 12, 2016
5KHY
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BU of 5khy by Molmil
Crystal structure of oxime-linked K6 diubiquitin
分子名称: ETHANOLAMINE, Polyubiquitin-B, ZINC ION
著者Stanley, M, Virdee, S.
登録日2016-06-16
公開日2016-09-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献Genetically Directed Production of Recombinant, Isosteric and Nonhydrolysable Ubiquitin Conjugates.
Chembiochem, 17, 2016
5KGM
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BU of 5kgm by Molmil
2.95A resolution structure of Apo independent phosphoglycerate mutase from C. elegans (monoclinic form)
分子名称: 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, MANGANESE (II) ION, ...
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Yu, H, Dranchak, P, MacArthur, R, Li, Z, Carlow, T, Suga, H, Inglese, J.
登録日2016-06-13
公開日2017-04-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Macrocycle peptides delineate locked-open inhibition mechanism for microorganism phosphoglycerate mutases.
Nat Commun, 8, 2017
5K8Y
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BU of 5k8y by Molmil
Structure of the Mus musclus Langerin carbohydrate recognition domain
分子名称: C-type lectin domain family 4 member K, CALCIUM ION, GLYCEROL, ...
著者Loll, B, Aretz, J, Rademacher, C, Wahl, M.C.
登録日2016-05-31
公開日2016-12-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacterial Polysaccharide Specificity of the Pattern Recognition Receptor Langerin Is Highly Species-dependent.
J. Biol. Chem., 292, 2017
5KCV
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BU of 5kcv by Molmil
Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1
分子名称: 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine, RAC-alpha serine/threonine-protein kinase
著者Eathiraj, S.
登録日2016-06-07
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor.
J.Med.Chem., 59, 2016
5K9Q
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BU of 5k9q by Molmil
Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.a.26 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin
分子名称: 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-06-01
公開日2016-11-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell(Cambridge,Mass.), 166, 2016
5KDI
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BU of 5kdi by Molmil
How FAPP2 Selects Simple Glycosphingolipids Using the GLTP-fold
分子名称: (~{Z})-~{N}-[(~{E},2~{S},3~{R})-1-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadec-9-enamide, Pleckstrin homology domain-containing family A member 8
著者Ochoa-Lizarralde, B, Popov, A.N, Samygina, V.R, Patel, D.J, Brown, R.E, Malinina, L.
登録日2016-06-08
公開日2017-12-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural analyses of 4-phosphate adaptor protein 2 yield mechanistic insights into sphingolipid recognition by the glycolipid transfer protein family.
J.Biol.Chem., 293, 2018
5KGS
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BU of 5kgs by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one
分子名称: 5-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-2,3-dihydroinden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE, ...
著者Maize, K.M, Aldrich, C.C, Finzel, B.C.
登録日2016-06-13
公開日2017-06-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
5KHH
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BU of 5khh by Molmil
HCN2 CNBD in complex with inosine-3', 5'-cyclic monophosphate (cIMP)
分子名称: Inosine-3',5'-cyclic monophosphate, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2
著者Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A.
登録日2016-06-14
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening.
Structure, 24, 2016
5J1E
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BU of 5j1e by Molmil
Crystal Structure of a Hydroxypyridone Carboxylic Acid Active-Site RNase H Inhibitor in Complex with HIV Reverse Transcriptase
分子名称: 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid, HIV-1 REVERSE TRANSCRIPTASE P51 DOMAIN, HIV-1 REVERSE TRANSCRIPTASE P66 DOMAIN, ...
著者Kirby, K.A, Sarafianos, S.G.
登録日2016-03-29
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, Synthesis, and Biological Evaluations of Hydroxypyridonecarboxylic Acids as Inhibitors of HIV Reverse Transcriptase Associated RNase H.
J.Med.Chem., 59, 2016
5IVY
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BU of 5ivy by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N16 [3-(2-(4-chlorophenyl)acetamido)isonicotinic acid]
分子名称: 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2016-03-21
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5JDE
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BU of 5jde by Molmil
Crystal structure of I9-I11 tandem from titin (P1)
分子名称: Titin
著者Williams, R, Bogomolovas, J, Labiet, S, Mayans, O.
登録日2016-04-16
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploration of pathomechanisms triggered by a single-nucleotide polymorphism in titin's I-band: the cardiomyopathy-linked mutation T2580I.
Open Biology, 6, 2016
5JDD
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BU of 5jdd by Molmil
Crystal structure of I9-I11 tandem from titin (P212121)
分子名称: Titin
著者Williams, R, Bogomolovas, J, Labiet, S, Mayans, O.
登録日2016-04-16
公開日2016-09-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Exploration of pathomechanisms triggered by a single-nucleotide polymorphism in titin's I-band: the cardiomyopathy-linked mutation T2580I.
Open Biology, 6, 2016
5JAC
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BU of 5jac by Molmil
Sixty 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2016-04-12
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.18 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
5JIW
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BU of 5jiw by Molmil
Crystal structure of Thermus aquaticus amylomaltase (GH77) in complex with a 34-meric cycloamylose
分子名称: 1,2-ETHANEDIOL, 4-alpha-glucanotransferase, CARBONATE ION, ...
著者Roth, C, Bexten, N, Weizenmann, N, Saenger, T, Maier, T, Zimmermann, W, Straeter, N.
登録日2016-04-22
公開日2017-01-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Amylose recognition and ring-size determination of amylomaltase.
Sci Adv, 3, 2017
5JBW
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BU of 5jbw by Molmil
Crystal structure of LiuC
分子名称: 3-hydroxybutyryl-CoA dehydratase
著者Bock, T, Reichelt, J, Mueller, R, Blankenfeldt, W.
登録日2016-04-14
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Structure of LiuC, a 3-Hydroxy-3-Methylglutaconyl CoA Dehydratase Involved in Isovaleryl-CoA Biosynthesis in Myxococcus xanthus, Reveals Insights into Specificity and Catalysis.
Chembiochem, 17, 2016
5JJI
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BU of 5jji by Molmil
Rho transcription termination factor bound to rU7 and 6 ADP-BeF3 molecules
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
著者Thomsen, N.D, Lawson, M.R, Witkowsky, L.B, Qu, S, Berger, J.M.
登録日2016-04-24
公開日2016-11-16
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Molecular mechanisms of substrate-controlled ring dynamics and substepping in a nucleic acid-dependent hexameric motor.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5JNN
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BU of 5jnn by Molmil
Crystal structure of abscisic acid receptor PYL2 in complex with Phaseic acid.
分子名称: (3S,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid, Abscisic acid receptor PYL2
著者Weng, J.K, Noel, J.P.
登録日2016-04-30
公開日2016-08-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Co-evolution of Hormone Metabolism and Signaling Networks Expands Plant Adaptive Plasticity.
Cell, 166, 2016
5JNE
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BU of 5jne by Molmil
E2-SUMO-Siz1 E3-SUMO-PCNA complex
分子名称: E3 SUMO-protein ligase SIZ1,Ubiquitin-like protein SMT3, GLYCEROL, Proliferating cell nuclear antigen, ...
著者Lima, C.D, Streich Jr, F.C.
登録日2016-04-29
公開日2016-08-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Capturing a substrate in an activated RING E3/E2-SUMO complex.
Nature, 536, 2016
5IQ8
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Crystal structure of TEM1 beta-lactamase mutant A224C/G283C disulfide
分子名称: Beta-lactamase TEM
著者Roose, B.W, Dmochowski, I.J.
登録日2016-03-10
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure of TEM1 beta-lactamase
To Be Published
5IJO
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BU of 5ijo by Molmil
Alternative composite structure of the inner ring of the human nuclear pore complex (16 copies of Nup188, 16 copies of Nup205)
分子名称: Nuclear pore complex protein Nup155, Nuclear pore complex protein Nup205, Nuclear pore complex protein Nup93, ...
著者Kosinski, J, Mosalaganti, S, von Appen, A, Beck, M.
登録日2016-03-02
公開日2016-04-27
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (21.4 Å)
主引用文献Molecular architecture of the inner ring scaffold of the human nuclear pore complex.
Science, 352, 2016
5I8X
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Bicyclic antimibrocial peptides
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, DLS-LYS-CYS-LYS-LEU-CYS-LYS-LYS-NH2, ...
著者Di Bonaventura, I, Jin, X, Visini, R, Michaud, G, Robadey, M, Koehler, T, van Delden, C, Stocker, A, Darbre, T, Reymond, J.-L.
登録日2016-02-19
公開日2017-08-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Chemical space guided discovery of antimicrobial bridged bicyclic peptides against Pseudomonas aeruginosa and its biofilms.
Chem Sci, 8, 2017

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