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4TXJ
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BU of 4txj by Molmil
Crystal structure of uridine phosphorylase from Schistosoma mansoni in complex with thymidine
分子名称: SULFATE ION, THYMIDINE, Uridine phosphorylase
著者Torini, J, Marinho, A, Romanello, L, Cassago, A, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
登録日2014-07-03
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.662 Å)
主引用文献Analysis of two Schistosoma mansoni uridine phosphorylases isoforms suggests the emergence of a protein with a non-canonical function.
Biochimie, 125, 2016
4U9D
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BU of 4u9d by Molmil
Crystal Structure of the Zn-directed tetramer of the engineered cyt cb562 variant, AB3
分子名称: HEME C, Soluble cytochrome b562, ZINC ION
著者Tezcan, F.A, Song, W.J.
登録日2014-08-05
公開日2015-01-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A designed supramolecular protein assembly with in vivo enzymatic activity.
Science, 346, 2014
4U61
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BU of 4u61 by Molmil
Trichodysplasia spinulosa-associated polyomavirus (TSPyV) VP1 in complex with 6'-sialyllactose
分子名称: GLYCEROL, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose, ...
著者Stroh, L.J, Stehle, T.
登録日2014-07-26
公開日2015-08-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Trichodysplasia spinulosa-Associated Polyomavirus Uses a Displaced Binding Site on VP1 to Engage Sialylated Glycolipids.
Plos Pathog., 11, 2015
7C7O
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BU of 7c7o by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative
分子名称: 4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
著者Kamitani, M, Mima, M, Takeuchi, T, Ushiyama, F.
登録日2020-05-26
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors.
Bioorg.Med.Chem., 28, 2020
4UAT
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BU of 4uat by Molmil
Crystal structure of CbbY (mutant D10N) from Rhodobacter sphaeroides in complex with Xylulose-(1,5)bisphosphate, crystal form I
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Protein CbbY, ...
著者Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M.
登録日2014-08-11
公開日2014-12-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
7CFW
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BU of 7cfw by Molmil
Crystal structure of the receiver domain of sensor histidine kinase PA1611 (PA1611REC) from Pseudomonas aeruginosa PAO1 with calcium ion coordinated in the active site cleft
分子名称: CALCIUM ION, Histidine kinase
著者Chen, S.K, Guan, H.H, Wu, P.H, Lin, L.T, Wu, M.C, Chang, H.Y, Chen, N.C, Lin, C.C, Chuankhayan, P, Huang, Y.C, Lin, P.J, Chen, C.J.
登録日2020-06-29
公開日2020-11-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural insights into the histidine-containing phospho-transfer protein and receiver domain of sensor histidine kinase suggest a complex model in the two-component regulatory system in Pseudomonas aeruginosa
Iucrj, 7, 2020
4UCM
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BU of 4ucm by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A FRAGMENT
分子名称: GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, methyl-3-methyl-5-phenyl-2H-pyrazol-4-methyl amine
著者Robinson, D.A, Wyatt, P.G.
登録日2014-12-04
公開日2015-05-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Identification and Structure Solution of Fragment Hits Against Kinetoplastid N-Myristoyltransferase
Acta Crystallogr.,Sect.F, 71, 2015
4U5B
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BU of 4u5b by Molmil
Crystal structure of GluA2 A622T, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ...
著者Chen, L, Gouaux, E.
登録日2014-07-25
公開日2014-08-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.5037 Å)
主引用文献X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
4U5F
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BU of 4u5f by Molmil
Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex, GluA2cryst2 construct
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ...
著者Chen, L, Gouaux, E.
登録日2014-07-24
公開日2014-08-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
7C7P
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BU of 7c7p by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION
著者Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J.
登録日2020-05-26
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
4U60
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BU of 4u60 by Molmil
Trichodysplasia spinulosa-associated polyomavirus (TSPyV) VP1 in complex with GM1 oligosaccharide
分子名称: 1,2-ETHANEDIOL, GLYCEROL, N-acetyl-alpha-neuraminic acid, ...
著者Stroh, L.J, Stehle, T.
登録日2014-07-26
公開日2015-08-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Trichodysplasia spinulosa-Associated Polyomavirus Uses a Displaced Binding Site on VP1 to Engage Sialylated Glycolipids.
Plos Pathog., 11, 2015
4U5C
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BU of 4u5c by Molmil
Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist FW and postitive modulator (R,R)-2b complex
分子名称: 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Con-ikot-ikot, ...
著者Chen, L, Gouaux, E.
登録日2014-07-25
公開日2014-08-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.6883 Å)
主引用文献X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
7C2K
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BU of 7c2k by Molmil
COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex
分子名称: Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ...
著者Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
登録日2020-05-07
公開日2020-06-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
4U5E
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BU of 4u5e by Molmil
Crystal structure of GluA2 T625G, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ...
著者Chen, L, Gouaux, E.
登録日2014-07-25
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.5073 Å)
主引用文献X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
7C7N
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BU of 7c7n by Molmil
Crystal structure of E.coli DNA gyrase B in complex with 6-fluoro-8-(methylamino)-2-oxo-1,2-dihydroquinoline derivative
分子名称: 4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid, DNA gyrase subunit B
著者Mima, M, Ushiyama, F.
登録日2020-05-26
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lead optimization of 8-(methylamino)-2-oxo-1,2-dihydroquinolines as bacterial type II topoisomerase inhibitors.
Bioorg.Med.Chem., 28, 2020
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
著者Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
登録日2020-07-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.108 Å)
主引用文献A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
7CAI
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BU of 7cai by Molmil
SARS-CoV-2 S trimer with two RBDs in the open state and complexed with two H014 Fab
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, Heavy chain of H014 Fab, ...
著者Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X.
登録日2020-06-08
公開日2020-09-23
最終更新日2020-09-30
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody.
Science, 369, 2020
7COI
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BU of 7coi by Molmil
Crystal structure of the b-carbonic anhydrase CafA of the fungal pathogen Aspergillus fumigatus
分子名称: ACETATE ION, Carbonic anhydrase, ZINC ION
著者Jin, M.S, Kim, S, Yeon, J, Sung, J.
登録日2020-08-04
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of beta-Carbonic Anhydrase CafA from the Fungal Pathogen Aspergillus fumigatus .
Mol.Cells, 43, 2020
4U9E
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BU of 4u9e by Molmil
Crystal structure of the Zn-directed tetramer of the engineered cyt cb562 variant, A104/57G AB3
分子名称: CALCIUM ION, HEME C, Soluble cytochrome b562, ...
著者Tezcan, F.A, Song, W.J.
登録日2014-08-06
公開日2015-01-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A designed supramolecular protein assembly with in vivo enzymatic activity
Science, 346, 2014
4UAR
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BU of 4uar by Molmil
Crystal structure of apo-CbbY from Rhodobacter sphaeroides
分子名称: GLYCEROL, Protein CbbY
著者Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M.
登録日2014-08-11
公開日2014-12-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
4UFH
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BU of 4ufh by Molmil
Mouse Galactocerebrosidase complexed with iso-galacto-fagomine IGF
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, CALCIUM ION, ...
著者Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E.
登録日2015-03-17
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
4UFK
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BU of 4ufk by Molmil
Mouse Galactocerebrosidase complexed with dideoxy-imino-lyxitol DIL
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, CALCIUM ION, ...
著者Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E.
登録日2015-03-17
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015
7CJZ
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BU of 7cjz by Molmil
Room temperature structure of lysozyme delivered in lard by serial millisecond crystallography
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Nam, K.H.
登録日2020-07-15
公開日2020-11-18
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Lard Injection Matrix for Serial Crystallography.
Int J Mol Sci, 21, 2020
7CKR
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BU of 7ckr by Molmil
Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate BAY-8002 in the outward-open conformation.
分子名称: 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid, Basigin, Monocarboxylate transporter 1
著者Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C.
登録日2020-07-18
公開日2020-12-23
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
4UFL
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BU of 4ufl by Molmil
Mouse Galactocerebrosidase complexed with deoxy-galacto-noeurostegine DGN
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, CALCIUM ION, ...
著者Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E.
登録日2015-03-17
公開日2015-03-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease.
Chem.Sci., 6, 2015

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