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3RTG
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Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with Coenzyme A and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, COENZYME A, MAGNESIUM ION, ...
著者Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W.
登録日2011-05-03
公開日2011-06-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
8TT7
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BU of 8tt7 by Molmil
NMR Assignments and Structure for the Dimeric Kinesin Neck Domain
分子名称: Kinesin heavy chain isoform 5C
著者Alexandrescu, A.T.
登録日2023-08-12
公開日2023-11-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR assignments and structure for the dimeric kinesin neck domain.
Biomol.Nmr Assign., 17, 2023
7QHL
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BU of 7qhl by Molmil
Crystal structure of Cyclin-dependent kinase 2/cyclin A in complex with 3,5,7-Substituted pyrazolo[4,3-d]pyrimidine inhibitor 24
分子名称: 1,2-ETHANEDIOL, 5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine, Cyclin-A2, ...
著者Djukic, S, Skerlova, J, Rezacova, P.
登録日2021-12-13
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献3,5,7-Substituted Pyrazolo[4,3- d ]Pyrimidine Inhibitors of Cyclin-Dependent Kinases and Cyclin K Degraders.
J.Med.Chem., 65, 2022
3RYO
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BU of 3ryo by Molmil
Crystal Structure of Enhanced Intracellular Survival (Eis) Protein from Mycobacterium tuberculosis with Acetyl CoA
分子名称: ACETYL COENZYME *A, Enhanced intracellular survival protein
著者Kim, K.H, An, D.R, Yoon, J.Y, Kim, H.S, Yoon, H.J, Song, J, Im, H.N, Kim, J, Kim, D.J, Lee, S.J, Kim, H.J, Lee, J.Y, Suh, S.W.
登録日2011-05-11
公開日2012-05-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mycobacterium tuberculosis Eis protein initiates suppression of host immune responses by acetylation of DUSP16/MKP-7
Proc.Natl.Acad.Sci.USA, 2012
3RYV
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BU of 3ryv by Molmil
Carbonic Anhydrase complexed with N-ethyl-4-sulfamoylbenzamide
分子名称: Carbonic anhydrase 2, N-ethyl-4-sulfamoylbenzamide, ZINC ION
著者Snyder, P.W, Bai, S, Heroux, A, Whitesides, G.W.
登録日2011-05-11
公開日2011-08-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Fluoroalkyl and alkyl chains have similar hydrophobicities in binding to the "hydrophobic wall" of carbonic anhydrase.
J.Am.Chem.Soc., 133, 2011
3RW9
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BU of 3rw9 by Molmil
Crystal Structure of human Spermidine Synthase in Complex with decarboxylated S-adenosylhomocysteine
分子名称: 5'-S-(3-aminopropyl)-5'-thioadenosine, Spermidine synthase
著者Seckute, J, McCloskey, D.E, Thomas, H.J, Secrist III, J.A, Pegg, A.E, Ealick, S.E.
登録日2011-05-08
公開日2011-09-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Binding and inhibition of human spermidine synthase by decarboxylated S-adenosylhomocysteine.
Protein Sci., 20, 2011
6SP8
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BU of 6sp8 by Molmil
Structure of hyperstable haloalkane dehalogenase variant DhaA115 prepared by the 'soak-and-freeze' method under 150 bar of krypton pressure
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ...
著者Chmelova, K, Markova, K, Damborsky, J, Marek, M.
登録日2019-08-31
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst.
Chem Sci, 11, 2020
8DID
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BU of 8did by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
分子名称: 3C-like proteinase nsp5, 5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde
著者Singh, I, Shoichet, B.K.
登録日2022-06-29
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
3SFU
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BU of 3sfu by Molmil
crystal structure of murine norovirus RNA dependent RNA polymerase in complex with ribavirin
分子名称: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, GLYCEROL, MAGNESIUM ION, ...
著者Kim, K.H, Alam, I.
登録日2011-06-14
公開日2012-05-09
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal structures of murine norovirus-1 RNA-dependent RNA polymerase in complex with 2-thiouridine or ribavirin.
Virology, 426, 2012
8T9Z
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BU of 8t9z by Molmil
Structural of M8C10 Fab in complex human metapneumovirus fusion protein
分子名称: Fusion glycoprotein F0, M8C10 Fab Heavy Chain, M8C10 Fab Light Chain
著者Su, H.P, Eddins, M.J, Shipman, J.M, Kostas, J, Reid, J.C.
登録日2023-06-26
公開日2023-11-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.995 Å)
主引用文献Structural characterization of M8C10, a neutralizing antibody targeting a highly conserved prefusion-specific epitope on the metapneumovirus fusion trimerization interface.
J.Virol., 97, 2023
3SD0
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BU of 3sd0 by Molmil
Identification of a Glycogen Synthase Kinase-3b Inhibitor that Attenuates Hyperactivity in CLOCK Mutant Mice
分子名称: 3-(5-fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1H-pyrrole-2,5-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Glycogen synthase kinase-3 beta
著者Mesecar, A.M, Walters, R.L.
登録日2011-06-08
公開日2011-08-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of a Glycogen Synthase Kinase-3b Inhibitor that Attenuates Hyperactivity in CLOCK Mutant Mice
To be Published
6SW1
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BU of 6sw1 by Molmil
Crystal Structure of P. aeruginosa PqsL: R41Y, I43R, G45R, C105G mutant
分子名称: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Mattevi, A, Rovida, S.
登録日2019-09-19
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Photoinduced monooxygenation involving NAD(P)H-FAD sequential single-electron transfer.
Nat Commun, 11, 2020
3SH2
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BU of 3sh2 by Molmil
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ethyl-5-(3-(4-methoxybiphenyl-3-yl)prop-1-ynyl)pyrimidine-2,4-diamine (UCP120J)
分子名称: 6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Frey, K.M, Anderson, A.C.
登録日2011-06-15
公開日2012-03-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.999 Å)
主引用文献Toward New Therapeutics for Skin and Soft Tissue Infections: Propargyl-Linked Antifolates Are Potent Inhibitors of MRSA and Streptococcus pyogenes.
Plos One, 7, 2012
3S8Z
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BU of 3s8z by Molmil
Crystal structure of LRP6-E3E4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Low-density lipoprotein receptor-related protein 6
著者Cheng, Z, Xu, W.
登録日2011-05-31
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of the extracellular domain of LRP6 and its complex with DKK1.
Nat.Struct.Mol.Biol., 18, 2011
6SMS
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BU of 6sms by Molmil
Vegetative Insecticidal Protein 1 (Vip1Ac1) from Bacillus thuringiensis
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, SULFATE ION, ...
著者Rizkallah, P.J, Al-Maslookhi, H.S, Berry, C, Jones, D.
登録日2019-08-22
公開日2021-02-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Bacillus thuringiensis insecticidal protein 1Ac, VIP1Ac
Not Published
6STT
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BU of 6stt by Molmil
Adenovirus 29 Fiber Knob protein in complex with Sialic acid
分子名称: Fiber, N-acetyl-alpha-neuraminic acid
著者Baker, A.T, Mundy, R.M, Rizkallah, P.J, Parker, A.L.
登録日2019-09-11
公開日2021-03-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Broad sialic acid usage amongst species D human adenovirus
npj Viruses, 1, 2023
6STV
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BU of 6stv by Molmil
Adenovirus 29 Fiber Knob protein
分子名称: Fiber, GLYCEROL, PHOSPHATE ION
著者Mundy, R.M, Baker, A.T, Rizkallah, P.J, Parker, A.L.
登録日2019-09-11
公開日2021-03-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Broad sialic acid usage amongst species D human adenovirus
npj Viruses, 1, 2023
6STW
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BU of 6stw by Molmil
Adenovirus 15 Fiber Knob protein
分子名称: Fiber protein
著者Mundy, R.M, Baker, A.T, Rizkallah, P.J, Parker, A.L.
登録日2019-09-11
公開日2021-03-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Broad sialic acid usage amongst species D human adenovirus
npj Viruses, 1, 2023
6SX8
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BU of 6sx8 by Molmil
Mopeia Virus Exonuclease domain complexed with Manganese
分子名称: MANGANESE (II) ION, Nucleoprotein, ZINC ION
著者Nguyen, T.H.V, Ferron, F.
登録日2019-09-25
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Inhibition of Arenaviridae nucleoprotein exonuclease by bisphosphonate
Iucrj, 2022
3S4B
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BU of 3s4b by Molmil
Cellobiose phosphorylase from Cellulomonas uda in complex with glucose
分子名称: Cellobiose phosphorylase, alpha-D-glucopyranose
著者Van Hoorebeke, A, Stout, J, Soetaert, W, Van Beeumen, J, Desmet, T, Savvides, S.
登録日2011-05-19
公開日2012-06-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cellobiose phosphorylase: reconstructing the structural itinerary along the catalytic pathway
To be Published
3S5U
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BU of 3s5u by Molmil
Crystal structure of CRISPR associated protein
分子名称: CALCIUM ION, Putative uncharacterized protein
著者Ke, A, Nam, K.H.
登録日2011-05-23
公開日2011-06-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of clustered regularly interspaced short palindromic repeats (CRISPR)-associated Csn2 protein revealed Ca2+-dependent double-stranded DNA binding activity.
J. Biol. Chem., 286, 2011
3SFG
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BU of 3sfg by Molmil
crystal structure of murine norovirus RNA dependent RNA polymerase in complex with 2thiouridine(2TU)
分子名称: 1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, GLYCEROL, MAGNESIUM ION, ...
著者Kim, K.H, Alam, I.
登録日2011-06-13
公開日2012-05-09
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献Crystal structures of murine norovirus-1 RNA-dependent RNA polymerase in complex with 2-thiouridine or ribavirin.
Virology, 426, 2012
3RD3
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BU of 3rd3 by Molmil
Structure of Pseudomonas aeruginosa transcriptional regulator PA2196
分子名称: Probable transcriptional regulator
著者Choe, J, Kang, Y.
登録日2011-03-31
公開日2012-04-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of Pseudomonas aeruginosa transcriptional regulator PA2196
To be Published
3R2W
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BU of 3r2w by Molmil
Crystal Structure of UDP-glucose Pyrophosphorylase of Homo Sapiens
分子名称: UTP--glucose-1-phosphate uridylyltransferase
著者Zheng, X, Yu, Q.
登録日2011-03-14
公開日2012-02-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The crystal structure of human UDP-glucose pyrophosphorylase reveals a latch effect that influences enzymatic activity.
Biochem.J., 442, 2012
7QRC
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BU of 7qrc by Molmil
X-ray structure of Trypanosoma cruzi PEX14 in complex with a PEX5-PEX14 PPI inhibitor
分子名称: GLYCEROL, Peroxin-14, ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide
著者Napolitano, V, Popowicz, G.M, Dawidowski, M, Dubin, G.
登録日2022-01-10
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma.
Eur.J.Med.Chem., 243, 2022

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