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5IBG
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Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 25b
分子名称: 3'-amino-5-[5-amino-3-(4-hydroxyphenyl)-1H-pyrazol-4-yl][1,1'-biphenyl]-2-ol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Levy, C.
登録日2016-02-22
公開日2016-04-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5I19
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CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV1-39
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 (2.8 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
5IF1
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Crystal structure apo CDK2/cyclin A
分子名称: Cyclin-A2, Cyclin-dependent kinase 2
著者Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
登録日2016-02-25
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
5I1J
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CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV5-51/IGKV3-11
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN, GLYCEROL
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2016-08-03
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
5KC7
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Crystal structure of Cbln1 (Val55-Gly58 deletion mutant)
分子名称: Cerebellin-1
著者Elegheert, J, Aricescu, A.R.
登録日2016-06-05
公開日2016-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (7.035 Å)
主引用文献Structural basis for integration of GluD receptors within synaptic organizer complexes.
Science, 353, 2016
5KJ5
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Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+
分子名称: 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A.
登録日2016-06-17
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism.
J.Biol.Chem., 291, 2016
5KPY
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Structure of a 5-hydroxytryptophan aptamer
分子名称: 5-hydroxy-L-tryptophan, 5-hydroxytryptophan RNA aptamer, IRIDIUM HEXAMMINE ION, ...
著者Batey, R.T, Porter, E, Merck, M.
登録日2016-07-05
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Recurrent RNA motifs as scaffolds for genetically encodable small-molecule biosensors.
Nat. Chem. Biol., 13, 2017
5KKF
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Crystal structure of TEM1 beta-lactamase mutant I263L
分子名称: Beta-lactamase TEM
著者Roose, B.W, Dmochowski, I.J.
登録日2016-06-21
公開日2017-06-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
5KLI
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Rhodobacter sphaeroides bc1 with stigmatellin and antimycin
分子名称: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-2-HYDROXYBENZOYL]AMINO}-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL (2S)-2-METHYLBUTANOATE, Cytochrome b, ...
著者Xia, D, Esser, L, Zhou, F, Tang, W.K, Yu, C.A.
登録日2016-06-24
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.996 Å)
主引用文献Hydrogen Bonding to the Substrate Is Not Required for Rieske Iron-Sulfur Protein Docking to the Quinol Oxidation Site of Complex III.
J.Biol.Chem., 291, 2016
5KOW
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Structure of rifampicin monooxygenase
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pentachlorophenol 4-monooxygenase
著者Tanner, J.J, Liu, L.-K.
登録日2016-07-01
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structure of the Antibiotic Deactivating, N-hydroxylating Rifampicin Monooxygenase.
J.Biol.Chem., 291, 2016
5KIR
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The Structure of Vioxx Bound to Human COX-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, GLYCEROL, ...
著者Orlando, B.J, Malkowski, M.G.
登録日2016-06-16
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.697 Å)
主引用文献Crystal structure of rofecoxib bound to human cyclooxygenase-2.
Acta Crystallogr.,Sect.F, 72, 2016
5KUT
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hMiro2 C-terminal GTPase domain, GDP-bound
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 2
著者Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M.
登録日2016-07-13
公開日2016-09-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.693 Å)
主引用文献Structural insights into Parkin substrate lysine targeting from minimal Miro substrates.
Sci Rep, 6, 2016
5KKC
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l-lactate dehydrogenase from rabbit muscle with the inhibitor 6DHNAD
分子名称: L-lactate dehydrogenase A chain, SULFATE ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(5-aminocarbonyl-2~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Meneely, K.M, Moran, G.R, Lamb, A.L.
登録日2016-06-21
公開日2016-11-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Ligand binding phenomena that pertain to the metabolic function of renalase.
Arch.Biochem.Biophys., 612, 2016
5KKN
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Crystal structure of human ACC2 BC domain in complex with ND-646, the primary amide of ND-630
分子名称: 2-[1-[(2~{R})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide, Acetyl-CoA carboxylase 2
著者Wang, R, Paul, D, Tong, L.
登録日2016-06-22
公開日2016-07-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Acetyl-CoA carboxylase inhibition by ND-630 reduces hepatic steatosis, improves insulin sensitivity, and modulates dyslipidemia in rats.
Proc.Natl.Acad.Sci.USA, 113, 2016
5KNC
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Crystal structure of the 3 ADP-bound V1 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Suzuki, K, Mizutani, K, Maruyama, S, Shimono, K, Imai, F.L, Muneyuki, E, Kakinuma, Y, Ishizuka-Katsura, Y, Shirouzu, M, Yokoyama, S, Yamato, I, Murata, T.
登録日2016-06-28
公開日2016-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.015 Å)
主引用文献Crystal structures of the ATP-binding and ADP-release dwells of the V1 rotary motor
Nat Commun, 7, 2016
5IK1
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Open state of P450cam after soaking in camphor
分子名称: CAMPHOR, Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
著者Mahomed, M, Goodin, D.B, Lee, Y.-T.
登録日2016-03-03
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Effector Roles of Putidaredoxin on Cytochrome P450cam Conformational States.
J.Am.Chem.Soc., 138, 2016
5IGN
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BU of 5ign by Molmil
Crystal structure of human BRD9 bromodomain in complex with LP99 chemical probe
分子名称: Bromodomain-containing protein 9, N-[(2R,3S)-2-(4-chlorophenyl)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxopiperidin-3-yl]-2-methylpropane-1-sulfonamide
著者Tallant, C, Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2016-02-28
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of BRD9 bromodomain in complex with LP99 chemical probe
To Be Published
5IJD
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The crystal structure of mouse TLR4/MD-2/lipid A complex
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B.
登録日2016-03-01
公開日2016-04-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IJT
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Human Peroxiredoxin 2 Oxidized (SS)
分子名称: Peroxiredoxin-2, ZINC ION
著者Haynes, A.C, Bolduc, J.A, Lowther, W.T.
登録日2016-03-02
公開日2017-09-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.148 Å)
主引用文献Novel hyperoxidation resistance motifs in 2-Cys peroxiredoxins.
J. Biol. Chem., 293, 2018
5IPK
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Structure of the R432A variant of Adeno-associated virus type 2 VLP
分子名称: Capsid protein VP1
著者Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M.
登録日2016-03-09
公開日2016-07-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging.
J.Virol., 90, 2016
5IP0
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PHA Binding Protein PhaP (Phasin)
分子名称: CADMIUM ION, PHA granule-associated protein
著者Chen, G.Q, Wang, X.Q, Zhao, H.Y.
登録日2016-03-09
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Insights on PHA Binding Protein PhaP from Aeromonas hydrophila
Sci Rep, 6, 2016
5ISL
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Linked KDM5A Jmj Domain Bound to the Inhibitor C49 (2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid)
分子名称: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2016-03-15
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.694 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IRC
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p190A GAP domain complex with RhoA
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Derewenda, U, Derewenda, Z.
登録日2016-03-12
公開日2016-08-17
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Deciphering the Molecular and Functional Basis of RHOGAP Family Proteins: A SYSTEMATIC APPROACH TOWARD SELECTIVE INACTIVATION OF RHO FAMILY PROTEINS.
J.Biol.Chem., 291, 2016
5JZC
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helical filament
分子名称: DNA repair protein RAD51 homolog 1
著者Short, J, Liu, Y.
登録日2016-05-16
公開日2016-09-21
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献High-resolution structure of the presynaptic RAD51 filament on single-stranded DNA by electron cryo-microscopy.
Nucleic Acids Res., 44, 2016
5JXH
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Structure the proprotein convertase furin in complex with meta-guanidinomethyl-Phac-RVR-Amba at 2.0 Angstrom resolution.
分子名称: 2UC-ARG-VAL-ARG-00S, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
登録日2016-05-13
公開日2016-10-05
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016

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