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8S9R
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SAL2, Staphylococcus aureus lipase 2 (geh, lip2), apo form
分子名称: CALCIUM ION, Lipase 2, PHOSPHATE ION, ...
著者Fellner, M.
登録日2023-03-30
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SAL2, Staphylococcus aureus lipase 2 (geh, lip2), apo form
To Be Published
6Z10
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BU of 6z10 by Molmil
Crystal structure of a humanized (K18E, K269N) rat succinate receptor SUCNR1 (GPR91) in complex with a nanobody and antagonist
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[[3-[4-chloranyl-2-fluoranyl-5-[(3~{R})-piperidin-3-yl]oxy-phenyl]-2-fluoranyl-phenyl]carbonylamino]-5-fluoranyl-phenyl]ethanoic acid, CHLORIDE ION, ...
著者Haffke, M, Villard, F.
登録日2020-05-11
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.269 Å)
主引用文献Discovery and Optimization of Novel SUCNR1 Inhibitors: Design of Zwitterionic Derivatives with a Salt Bridge for the Improvement of Oral Exposure.
J.Med.Chem., 63, 2020
6ZLJ
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BU of 6zlj by Molmil
Crystal Structure of UDP-Glucuronic acid 4-epimerase Y149F mutant from Bacillus cereus in complex with UDP-4-DEOXY-4-FLUORO-Glucuronic acid and NAD
分子名称: (2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid, Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Iacovino, L.G, Mattevi, A.
登録日2020-06-30
公開日2020-07-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction.
J.Biol.Chem., 295, 2020
8S9J
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BU of 8s9j by Molmil
FphA, Staphylococcus aureus fluorophosphonate-binding serine hydrolases A, apo form
分子名称: Fluorophosphonate-binding serine hydrolase A, SULFATE ION
著者Fellner, M.
登録日2023-03-28
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献FphA, Staphylococcus aureus fluorophosphonate-binding serine hydrolases A, apo form
To Be Published
6AYQ
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BU of 6ayq by Molmil
Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, GLYCEROL
著者Cameron, S.A, Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2017-09-08
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase.
ACS Chem. Biol., 13, 2018
6Z17
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BU of 6z17 by Molmil
PqsR (MvfR) in complex with antagonist 6
分子名称: 6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, Transcriptional regulator MvfR
著者Richardson, W.K, Emsley, J.
登録日2020-05-12
公開日2020-09-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR.
Eur.J.Med.Chem., 208, 2020
6YSH
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BU of 6ysh by Molmil
Lamin A 1-70 coil1A dimer stabilized by C-terminal capping
分子名称: Prelamin-A/C,Microtubule-associated protein RP/EB family member 1
著者Stalmans, G, Lilina, A.V, Strelkov, S.V.
登録日2020-04-22
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Addressing the Molecular Mechanism of Longitudinal Lamin Assembly Using Chimeric Fusions.
Cells, 9, 2020
7QR6
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BU of 7qr6 by Molmil
Stilbene dioxygenase (NOV1) from Novosphingobium aromaticivorans: Ser283Phe mutant
分子名称: Dioxygenase, FE (III) ION, OXYGEN MOLECULE
著者Alvigini, L, Mattevi, A.
登録日2022-01-10
公開日2022-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Rationally Guided Improvement of NOV1 Dioxygenase for the Conversion of Lignin-Derived Isoeugenol to Vanillin.
Biochemistry, 62, 2023
6Q7B
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BU of 6q7b by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL09
分子名称: 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
登録日2018-12-13
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.009 Å)
主引用文献Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
7LQM
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BU of 7lqm by Molmil
Glucosamie-6-phosphate Deaminase from Pasturella multocida
分子名称: 1,2-ETHANEDIOL, Glucosamine-6-phosphate deaminase
著者Subramanian, R, Srinivasachari, S.
登録日2021-02-14
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A dimer between monomers and hexamers-Oligomeric variations in glucosamine-6-phosphate deaminase family.
Plos One, 18, 2023
6QCG
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BU of 6qcg by Molmil
PCNA complex with Cdt1 N-terminal PIP-box peptide
分子名称: DNA replication factor Cdt1, Proliferating cell nuclear antigen
著者Perrakis, A, von Castelmur, E.
登録日2018-12-28
公開日2019-01-23
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Direct binding of Cdt2 to PCNA is important for targeting the CRL4Cdt2E3 ligase activity to Cdt1.
Life Sci Alliance, 1, 2018
6HG7
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BU of 6hg7 by Molmil
Crystal structure of a collagen II fragment containing the binding site of PEDF and COMP, (POG)4-LKG HRG FTG LQG-POG(4)
分子名称: Collagen alpha-1(II) chain, SULFATE ION
著者Gebauer, J.M, Koehler, A, Dietmar, H, Gompert, M, Neundorf, I, Zaucke, F, Koch, M, Baumann, U.
登録日2018-08-22
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献COMP and TSP-4 interact specifically with the novel GXKGHR motif only found in fibrillar collagens.
Sci Rep, 8, 2018
5HGO
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BU of 5hgo by Molmil
Hexameric HIV-1 CA R18G mutant
分子名称: Capsid protein P24
著者Jacques, D.A, James, L.C.
登録日2016-01-08
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
6Q7I
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BU of 6q7i by Molmil
GH3 exo-beta-xylosidase (XlnD)
分子名称: 1,2-ETHANEDIOL, 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Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E.
登録日2018-12-13
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes.
Acs Cent.Sci., 5, 2019
7LB3
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BU of 7lb3 by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-580
分子名称: 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-indazole, Transcription initiation factor TFIID subunit 1
著者Karim, M.R, Schonbrunn, E.
登録日2021-01-07
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-580
To Be Published
5UQE
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BU of 5uqe by Molmil
Multidomain structure of human kidney-type glutaminase(KGA/GLS)
分子名称: Glutaminase kidney isoform, mitochondrial, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide)
著者Pasquali, C.C, Dias, S.M.G, Ambrosio, A.L.B.
登録日2017-02-08
公開日2017-05-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The origin and evolution of human glutaminases and their atypical C-terminal ankyrin repeats.
J. Biol. Chem., 292, 2017
5HME
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BU of 5hme by Molmil
Crystal structure of Triazine Hydrolase variant (P214T/Y215H)
分子名称: Triazine hydrolase, ZINC ION
著者Sugrue, E, Carr, P.D, Jackson, C.J.
登録日2016-01-16
公開日2016-11-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Active Site Desolvation and Thermostability Trade-Offs in the Evolution of Catalytically Diverse Triazine Hydrolases.
Biochemistry, 55, 2016
7LC7
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BU of 7lc7 by Molmil
Crystal structure of epoxyqueuosine reductase QueH in complex with GMP from Thermotoga maritima
分子名称: CHLORIDE ION, Epoxyqueuosine reductase QueH, FE (III) ION, ...
著者Li, Q, Bruner, S.D.
登録日2021-01-09
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The epoxyqueuosine reductase QueH in the biosynthesis of tRNA queuosine is a unique metalloenzyme
To Be Published
6Q8B
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BU of 6q8b by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with 5'-O-(N-(L-Leucyl)-Sulfamoyl)N3-methyluridine
分子名称: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2018-12-14
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases.
Eur.J.Med.Chem., 173, 2019
6AXG
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BU of 6axg by Molmil
Structure of RasGRP4 in complex with HRas
分子名称: GTPase HRas, RAS guanyl-releasing protein 4
著者Kondo, Y, Iwig, J.S, Kuriyan, J.
登録日2017-09-06
公開日2017-10-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.302 Å)
主引用文献A histidine pH sensor regulates activation of the Ras-specific guanine nucleotide exchange factor RasGRP1.
Elife, 6, 2017
7LXE
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BU of 7lxe by Molmil
ENAH EVH1 domain bound to peptide from ABI1
分子名称: Protein enabled homolog,Abl interactor 1
著者Keating, A.E, Grant, R.A, Hwang, T.H.
登録日2021-03-03
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Native proline-rich motifs exploit sequence context to target actin-remodeling Ena/VASP protein ENAH.
Elife, 11, 2022
8ROM
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BU of 8rom by Molmil
Crystal structure of human FAD synthase PAPS domain in complex with FAD
分子名称: FAD synthase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
著者Leo, G, Capaldi, S.
登録日2024-01-11
公開日2024-04-10
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural insights into the bifunctional enzyme human FAD synthase.
Structure, 32, 2024
6Q8N
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BU of 6q8n by Molmil
GH10 endo-xylanase in complex with xylobiose epoxide inhibitor
分子名称: (1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E.
登録日2018-12-15
公開日2019-06-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes.
Acs Cent.Sci., 5, 2019
6HHE
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BU of 6hhe by Molmil
Crystal structure of the medfly Odorant Binding Protein CcapOBP22/CcapOBP69a
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, Odorant binding protein OBP69a, SULFATE ION
著者Falchetto, M, Ciossani, G, Nenci, S, Mattevi, A, Gasperi, G, Forneris, F.
登録日2018-08-28
公開日2018-12-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.516 Å)
主引用文献Structural and biochemical evaluation of Ceratitis capitata odorant-binding protein 22 affinity for odorants involved in intersex communication.
Insect Mol.Biol., 28, 2019
7LL5
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BU of 7ll5 by Molmil
High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-150.
分子名称: 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2, {1-(ethylsulfonyl)-3-[4-(2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile
著者Karim, M.R, Schonbrunn, E.
登録日2021-02-03
公開日2022-01-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-resolution crystal structure of human JAK2 kinase domain (JH1) bound to PN5-150.
To Be Published

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件を2024-08-28に公開中

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