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7PXS
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BU of 7pxs by Molmil
Room temperature X-ray structure of LPMO at 1.91x10^3 Gy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
著者Tandrup, T, Muderspach, S.J, Banerjee, S, Lo Leggio, L.
登録日2021-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
8P46
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BU of 8p46 by Molmil
IPNS variant N252D in complex with Fe and IPN after O2 exposure
分子名称: FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ...
著者Rabe, P, Schofield, C.J.
登録日2023-05-19
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献IPNS variant N252D in complex with Fe and IPN after O2 exposure
To Be Published
6DD9
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BU of 6dd9 by Molmil
Structure of mouse SYCP3, P1 form
分子名称: Synaptonemal complex protein 3
著者Rosenberg, S.C, Munoz, I.C, Uson, I, Corbett, K.D.
登録日2018-05-09
公開日2018-08-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A conserved filamentous assembly underlies the structure of the meiotic chromosome axis.
Elife, 8, 2019
8P47
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BU of 8p47 by Molmil
IPNS variant N252A in complex with Fe and ACV under anaerobic conditions
分子名称: FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ...
著者Rabe, P, Schofield, C.J.
登録日2023-05-19
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献IPNS variant N252A in complex with Fe and ACV under anaerobic conditions
To Be Published
6DE4
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BU of 6de4 by Molmil
Homo sapiens dihydrofolate reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylphenyl)but-3-yn-2-yl]-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid
分子名称: 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Hajian, B, Wright, D.
登録日2018-05-11
公開日2018-05-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.411 Å)
主引用文献Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
7PXR
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BU of 7pxr by Molmil
Room temperature structure of an LPMO.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
著者Tandrup, T, Meilleur, F, Ipsen, J, Johansen, K.S, Lo Leggio, L.
登録日2021-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
8P7O
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BU of 8p7o by Molmil
Isopenicillin N synthase in complex with Fe and Aad-Cys-[(S)-1-amino-2-methylpropane-1-sulfonic acid]
分子名称: (2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{S})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid, FE (III) ION, Isopenicillin N synthase, ...
著者Rabe, P, Schofield, C.J.
登録日2023-05-30
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Isopenicillin N synthase in complex with Fe and Aad-Cys-[(S)-1-amino-2-methylpropane-1-sulfonic acid]
To Be Published
7PXJ
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BU of 7pxj by Molmil
X-ray structure of LPMO at 5.99x10^4 Gy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
著者Tandrup, T, Lo Leggio, L.
登録日2021-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
6DTE
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BU of 6dte by Molmil
GlcNAc-inspired cyclophellitol bound to NagZ
分子名称: 2,2,2-trifluoro-N-[(1R,2R,3R,4R,5R,6R)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide, Beta-hexosaminidase
著者Mark, B.L, Winogrodzki, J.L.
登録日2018-06-15
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.929 Å)
主引用文献A mechanism-based GlcNAc-inspired cyclophellitol inactivator of the peptidoglycan recycling enzyme NagZ reverses resistance to beta-lactams in Pseudomonas aeruginosa.
Chem. Commun. (Camb.), 54, 2018
6DGX
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BU of 6dgx by Molmil
Crystal structure of HIV-1 Protease NL4-3 WT in complex with darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DH6
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BU of 6dh6 by Molmil
Crystal structure of HIV-1 Protease NL4-3 I50V Mutant in complex with darunavir
分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease, SULFATE ION
著者Lockbaum, G.J, Schiffer, C.A.
登録日2018-05-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease.
ACS Infect Dis, 5, 2019
6DUG
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BU of 6dug by Molmil
Crystal structure of HIV-1 reverse transcriptase K101P mutant in complex with non-nucleoside inhibitor 25a
分子名称: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
著者Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
登録日2018-06-20
公開日2018-08-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.225 Å)
主引用文献Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
6DHJ
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BU of 6dhj by Molmil
Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica
分子名称: CITRIC ACID, Cyanuric acid amidohydrolase
著者Shi, K, Aihara, H.
登録日2018-05-20
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis.
Plos One, 14, 2019
6DV5
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BU of 6dv5 by Molmil
Oligomeric complex of a Hsp27 24-mer at 3.6 A resolution
分子名称: Heat shock protein beta-1
著者Aguda, A.H, Brayer, G.D.
登録日2018-06-22
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.58 Å)
主引用文献Structure-Guided Discovery of Ivermectin as an Inhibitor of Heat Shock Protein-27 Phosphorylation and Depolymerization.
To Be Published
7PXK
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BU of 7pxk by Molmil
X-ray structure of LPMO at 1.39x10^5 Gy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
著者Tandrup, T, Lo Leggio, L.
登録日2021-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
6DW4
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BU of 6dw4 by Molmil
SAMHD1 Bound to Cladribine-TP in the Catalytic Pocket and Allosteric Pocket
分子名称: 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y.
登録日2018-06-26
公開日2018-10-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7PXT
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BU of 7pxt by Molmil
Structure of an LPMO, collected from serial synchrotron crystallography data.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
著者Tandrup, T, Santoni, G, Lo Leggio, L.
登録日2021-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PXU
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BU of 7pxu by Molmil
LsAA9_A chemically reduced with ascorbic acid (low X-ray dose)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
著者Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J, Johansen, K.S, Lo Leggio, L.
登録日2021-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7NIN
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BU of 7nin by Molmil
X-ray crystal structure of LsAA9A - CinnamtanninB1 soak
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Auxiliary activity 9, ...
著者Frandsen, K.E.H, Tokin, R, Skov, L, Johansen, K.S, Lo Leggio, L.
登録日2021-02-12
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Inhibition of lytic polysaccharide monooxygenase by natural plant extracts.
New Phytol., 232, 2021
7NIM
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BU of 7nim by Molmil
X-ray crystal structure of LsAA9A - cinnamon extract soak
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Auxiliary activity 9, ...
著者Frandsen, K.E.H, Tokin, R, Skov, L, Johansen, K.S, Lo Leggio, L.
登録日2021-02-12
公開日2021-08-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Inhibition of lytic polysaccharide monooxygenase by natural plant extracts.
New Phytol., 232, 2021
6DLO
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BU of 6dlo by Molmil
Crystal structure of LRRK2 WD40 domain dimer
分子名称: Leucine-rich repeat serine/threonine-protein kinase 2
著者Zhang, P, Ru, H, Wang, L, Wu, H.
登録日2018-06-02
公開日2019-01-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the WD40 domain dimer of LRRK2.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6DM0
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BU of 6dm0 by Molmil
Open state GluA2 in complex with STZ and blocked by IEM-1460, after micelle signal subtraction
分子名称: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, ...
著者Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I.
登録日2018-06-04
公開日2018-08-22
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018
6DAK
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BU of 6dak by Molmil
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
分子名称: DIMETHYL SULFOXIDE, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, WD repeat-containing protein 5
著者Phan, J, Fesik, S.W.
登録日2018-05-01
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J. Med. Chem., 61, 2018
6DND
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BU of 6dnd by Molmil
Crystal structure of wild-type (WT) human Glutamate oxaloacetate transaminase 1 (GOT1)
分子名称: Aspartate aminotransferase, cytoplasmic, PYRIDOXAL-5'-PHOSPHATE, ...
著者Assar, Z, Holt, M.C, Stein, A.J, Lairson, L, Lyssiotis, C.A.
登録日2018-06-06
公開日2018-11-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biochemical Characterization and Structure-Based Mutational Analysis Provide Insight into the Binding and Mechanism of Action of Novel Aspartate Aminotransferase Inhibitors.
Biochemistry, 57, 2018
7PXN
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BU of 7pxn by Molmil
X-ray structure of LPMO at 6.65x10^6 Gy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
著者Tandrup, T, Lo Leggio, L.
登録日2021-10-08
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022

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件を2024-08-14に公開中

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