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5IQB
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BU of 5iqb by Molmil
Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Kanamycin A
分子名称: Bifunctional AAC/APH, CHLORIDE ION, KANAMYCIN A, ...
著者Caldwell, S.J, Berghuis, A.M.
登録日2016-03-10
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia.
Structure, 24, 2016
2OA1
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BU of 2oa1 by Molmil
Crystal Structure of RebH, a FAD-dependent halogenase from Lechevalieria aerocolonigenes, the L-Tryptophan with FAD complex
分子名称: ADENOSINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Bitto, E, Bingman, C.A, Singh, S, Phillips Jr, G.N.
登録日2006-12-14
公開日2007-04-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The structure of flavin-dependent tryptophan 7-halogenase RebH.
Proteins, 70, 2008
2O9Z
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BU of 2o9z by Molmil
Crystal Structure of RebH, a FAD-dependent halogenase from Lechevalieria aerocolonigenes, the Apo form
分子名称: PHOSPHATE ION, Tryptophan halogenase
著者Bitto, E, Bingman, C.A, Phillips Jr, G.N.
登録日2006-12-14
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献The structure of flavin-dependent tryptophan 7-halogenase RebH.
Proteins, 70, 2008
2ODC
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BU of 2odc by Molmil
LEM-domain of the nuclear envelope protein emerin
分子名称: Emerin
著者Clore, G.M, Cai, M.
登録日2006-12-22
公開日2007-03-13
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of the Barrier-to-Autointegration Factor-Emerin Complex.
J.Biol.Chem., 282, 2007
2ODG
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BU of 2odg by Molmil
Complex of barrier-to-autointegration factor and LEM-domain of emerin
分子名称: Barrier-to-autointegration factor, Emerin
著者Clore, G.M, Cai, M.
登録日2006-12-22
公開日2007-03-13
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of the Barrier-to-Autointegration Factor-Emerin Complex.
J.Biol.Chem., 282, 2007
2POI
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BU of 2poi by Molmil
Crystal structure of XIAP BIR1 domain (I222 form)
分子名称: Baculoviral IAP repeat-containing protein 4, ZINC ION
著者Lin, S.
登録日2007-04-26
公開日2007-07-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization.
Mol.Cell, 26, 2007
2POM
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BU of 2pom by Molmil
TAB1 with manganese ion
分子名称: MANGANESE (II) ION, Mitogen-activated protein kinase kinase kinase 7-interacting protein 1
著者Lin, S.C.
登録日2007-04-26
公開日2007-07-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization.
Mol.Cell, 26, 2007
2POP
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BU of 2pop by Molmil
The Crystal Structure of TAB1 and BIR1 complex
分子名称: Baculoviral IAP repeat-containing protein 4, Mitogen-activated protein kinase kinase kinase 7-interacting protein 1, ZINC ION
著者Lin, S.C.
登録日2007-04-27
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization.
Mol.Cell, 26, 2007
2Q11
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BU of 2q11 by Molmil
Structure of BACE complexed to compound 1
分子名称: 3-(2-AMINO-6-BENZOYLQUINAZOLIN-3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE, Beta-secretase 1
著者Sharff, A.J.
登録日2007-05-23
公開日2007-08-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead.
J.Med.Chem., 50, 2007
2Q15
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BU of 2q15 by Molmil
Structure of BACE complexed to compound 3a
分子名称: (4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE, Beta-secretase 1
著者Sharff, A.J.
登録日2007-05-23
公開日2007-08-14
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献2-Amino-3,4-dihydroquinazolines as inhibitors of BACE-1 (beta-Site APP cleaving enzyme): Use of structure based design to convert a micromolar hit into a nanomolar lead.
J.Med.Chem., 50, 2007
6IRE
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BU of 6ire by Molmil
Complex structure of INAD PDZ45 and NORPA CC-PBM
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase, Inactivation-no-after-potential D protein
著者Ye, F, Li, J, Deng, X, Liu, W, Zhang, M.
登録日2018-11-12
公開日2019-01-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
7L2C
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BU of 7l2c by Molmil
Crystallographic structure of neutralizing antibody 2-51 in complex with SARS-CoV-2 spike N-terminal domain (NTD)
分子名称: 2-51 heavy chain, 2-51 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cerutti, G, Reddem, E.R, Shapiro, L.
登録日2020-12-16
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.65 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
7L2E
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BU of 7l2e by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 4-18 in complex with prefusion SARS-CoV-2 spike glycoprotein
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, 4-18 heavy chain, ...
著者Cerutti, G, Shapiro, L.
登録日2020-12-16
公開日2021-03-24
最終更新日2021-05-26
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
7L2F
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BU of 7l2f by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 5-24 in complex with prefusion SARS-CoV-2 spike glycoprotein
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, 5-24 heavy chain, ...
著者Cerutti, G, Shapiro, L.
登録日2020-12-16
公開日2021-03-24
最終更新日2021-05-26
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
7L2D
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BU of 7l2d by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 1-87 in complex with prefusion SARS-CoV-2 spike glycoprotein
分子名称: 1-87 heavy chain, 1-87 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cerutti, G, Shapiro, L.
登録日2020-12-16
公開日2021-03-24
最終更新日2021-05-26
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
7L57
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BU of 7l57 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-15
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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Rapp, M, Shapiro, L.
登録日2020-12-21
公開日2021-04-14
最終更新日2021-04-21
実験手法ELECTRON MICROSCOPY (5.87 Å)
主引用文献Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
7L56
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BU of 7l56 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-43
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, Fab 2-43 variable domain heavy chain, ...
著者Rapp, M, Shapiro, L.
登録日2020-12-21
公開日2021-04-14
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
7L58
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BU of 7l58 by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab H4
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, Fab H4 variable domain heavy chain, ...
著者Rapp, M, Shapiro, L.
登録日2020-12-21
公開日2021-04-14
最終更新日2021-04-21
実験手法ELECTRON MICROSCOPY (5.07 Å)
主引用文献Modular basis for potent SARS-CoV-2 neutralization by a prevalent VH1-2-derived antibody class.
Cell Rep, 35, 2021
6I2U
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BU of 6i2u by Molmil
Aurora-A kinase domain in complex with Coenzyme A
分子名称: Aurora kinase A, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
著者Burgess, S.G, Bayliss, R.
登録日2018-11-02
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Covalent Aurora A regulation by the metabolic integrator coenzyme A.
Redox Biol, 28, 2019
6KL4
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BU of 6kl4 by Molmil
Crystal structure of MavC-UBE2N-Ub
分子名称: MavC, Ub, Ubiquitin-conjugating enzyme E2 N
著者Ouyang, S, Guan, H.
登録日2019-07-29
公開日2020-04-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Molecular Basis of Ubiquitination Catalyzed by the Bacterial Transglutaminase MavC.
Adv Sci, 7, 2020
6KWY
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BU of 6kwy by Molmil
human PA200-20S complex
分子名称: INOSITOL HEXAKISPHOSPHATE, Proteasome activator complex subunit 4, Proteasome subunit alpha type-1, ...
著者Ouyang, S, Hongxin, G.
登録日2019-09-09
公開日2020-04-01
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Cryo-EM structures of the human PA200 and PA200-20S complex reveal regulation of proteasome gate opening and two PA200 apertures.
Plos Biol., 18, 2020
1QCK
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BU of 1qck by Molmil
SOLUTION STRUCTURE OF HUMAN BARRIER-TO-AUTOINTEGRATION FACTOR BAF, NMR, REGULARIZED MEAN STRUCTURE PLUS 20 INDIVIDUAL SIMULATED ANNEALING STRUCTURES
分子名称: PROTEIN (BARRIER-TO-AUTOINTEGRATION FACTOR)
著者Clore, G.M.
登録日1999-05-06
公開日1999-06-23
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献IMPROVING THE PACKING AND ACCURACY OF NMR STRUCTURES WITH A PSEUDOPOTENTIAL FOR THE RADIUS OF GYRATION
J.Am.Chem.Soc., 121, 1999
7EAN
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BU of 7ean by Molmil
immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 6D6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 cross-neutralizing mAb 6D6, Light chain of SARS-CoV-2 cross-neutralizing mAb 6D6, ...
著者Li, T.T, Gu, Y, Li, S.W.
登録日2021-03-07
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
7EAM
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BU of 7eam by Molmil
immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6
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, Spike protein S1, ...
著者Li, T.T, Gu, Y, Li, S.W.
登録日2021-03-07
公開日2021-03-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
7F3B
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BU of 7f3b by Molmil
cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor.
分子名称: 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL
著者Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W.
登録日2021-06-16
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022

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