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7C3C
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BU of 7c3c by Molmil
Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-manose
Descriptor: AofleA, GLYCEROL, alpha-D-mannopyranose, ...
Authors:Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
Deposit date:2020-05-12
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
7C37
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BU of 7c37 by Molmil
Crystal structure of AofleA from Arthrobotrys oligospora
Descriptor: AofleA, BICINE
Authors:Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M.
Deposit date:2020-05-11
Release date:2020-07-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
7JVP
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BU of 7jvp by Molmil
Cryo-EM structure of SKF-83959-bound dopamine receptor 1 in complex with Gs protein
Descriptor: (1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E.
Deposit date:2020-08-22
Release date:2021-02-24
Last modified:2021-03-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
7JV5
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BU of 7jv5 by Molmil
Cryo-EM structure of SKF-81297-bound dopamine receptor 1 in complex with Gs protein
Descriptor: (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E.
Deposit date:2020-08-20
Release date:2021-02-24
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
7JVR
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BU of 7jvr by Molmil
Cryo-EM structure of Bromocriptine-bound dopamine receptor 2 in complex with Gi protein
Descriptor: Antibody fragment ScFv16, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E.
Deposit date:2020-08-22
Release date:2021-02-24
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
7JVQ
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BU of 7jvq by Molmil
Cryo-EM structure of apomorphine-bound dopamine receptor 1 in complex with Gs protein
Descriptor: (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E.
Deposit date:2020-08-22
Release date:2021-02-24
Last modified:2021-03-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
4DUM
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BU of 4dum by Molmil
Co-crystal structure of eIF4E with inhibitor
Descriptor: (4-{7-[2-(4-chlorophenoxy)ethyl]-2-(methylamino)-6-oxo-6,7-dihydro-1H-purin-8-yl}phenyl)phosphonic acid, 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 4E
Authors:Min, X, Johnstone, S, Walker, N, Wang, Z.
Deposit date:2012-02-22
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
5XSU
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BU of 5xsu by Molmil
novel orally efficacious inhibitors complexed with PARP1
Descriptor: 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Liu, Q, Xu, Y.
Deposit date:2017-06-15
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
7SI1
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BU of 7si1 by Molmil
Crystal structure of apo EGFR kinase domain
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, SULFATE ION
Authors:Kung, J.E, Wu, P, Kiefer, J.R, Sudhamsu, J.
Deposit date:2021-10-12
Release date:2022-10-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Clearing the Path to Rapid High-Quality Protein Purification
To Be Published
7SHV
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BU of 7shv by Molmil
Crystal structure of BRAF kinase domain bound to GDC0879
Descriptor: 2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl]-3-(pyridin-4-yl)-1H-pyrazol-1-yl}ethanol, CHLORIDE ION, Serine/threonine-protein kinase B-raf
Authors:Kung, J.E, Sudhamsu, J.
Deposit date:2021-10-11
Release date:2022-10-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Clearing the Path to Rapid High-Quality Protein Purification
To Be Published
5K00
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BU of 5k00 by Molmil
MELK in complex with NVS-MELK5
Descriptor: 4-{2-[(3-methoxyphenyl)amino]-4-[(piperidin-4-yl)methoxy]pyrimidin-5-yl}-N-[2-oxo-2-(phenylamino)ethyl]benzamide, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R.
Deposit date:2016-05-17
Release date:2017-03-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:"Addition" and "Subtraction": Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors.
J. Med. Chem., 60, 2017
6KPT
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BU of 6kpt by Molmil
Crystal Structure of Acyl-CoA Dehydrogenase FadE5 from Mycobacteria smegmatis
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-16
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.963 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KSE
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BU of 6kse by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria tuberculosisin complex with C18CoA
Descriptor: Acyl-CoA dehydrogenase FadE5, FLAVIN-ADENINE DINUCLEOTIDE, STEAROYL-COENZYME A
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-23
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KRI
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BU of 6kri by Molmil
Crystal Structure of Acyl-CoA Dehydrogenase FadE5 from Mycobacteria smegmatis with product released
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-21
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KS9
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BU of 6ks9 by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-23
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KSA
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BU of 6ksa by Molmil
Crystal Structure of E447A Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C18CoA
Descriptor: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-23
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KSB
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BU of 6ksb by Molmil
Crystal Structure of E447A M130G Acyl-CoA Dehydrogenase FadE5 mutant from Mycobacteria smegmatis in complex with C16CoA
Descriptor: Acyl-CoA dehydrogenase, COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Liu, X, Chen, X.B.
Deposit date:2019-08-23
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VBK
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BU of 6vbk by Molmil
Crystal structure of N-terminal domain of Mycobacterium tuberculosis complex Lon protease
Descriptor: GLYCEROL, Lon211
Authors:Bi, F.K, Chen, C, Chen, X.Y, Guo, C.Y, Lin, D.H.
Deposit date:2019-12-19
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019
1QAW
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BU of 1qaw by Molmil
Regulatory Features of the TRP Operon and the Crystal Structure of the TRP RNA-Binding Attenuation Protein from Bacillus Stearothermophilus.
Descriptor: TRP RNA-BINDING ATTENUATION PROTEIN, TRYPTOPHAN
Authors:Chen, X.-P, Antson, A.A, Yang, M, Baumann, C, Dodson, E.J, Dodson, G.G, Gollnick, P.
Deposit date:1999-03-31
Release date:1999-04-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulatory features of the trp operon and the crystal structure of the trp RNA-binding attenuation protein from Bacillus stearothermophilus.
J.Mol.Biol., 289, 1999
6XBU
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BU of 6xbu by Molmil
polymerase domain of polymerase-theta
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*GP*TP*CP*AP*TP*TP*G)-3'), DNA polymerase theta, ...
Authors:Chen, X, Pomerantz, R, Zhao, J.
Deposit date:2020-06-07
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Pol theta reverse transcribes RNA and promotes RNA-templated DNA repair.
Sci Adv, 7, 2021
4DT6
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BU of 4dt6 by Molmil
Co-crystal structure of eIF4E with inhibitor
Descriptor: 1,2-ETHANEDIOL, 7-[2-(4-chlorophenoxy)ethyl]guanosine 5'-(dihydrogen phosphate), Eukaryotic translation initiation factor 4E, ...
Authors:Min, X, Johnstone, S, Walker, N, Wang, Z.
Deposit date:2012-02-20
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Design, Synthesis, and Evaluation of Guanine-Derived Inhibitors of the eIF4E mRNA-Cap Interaction.
J.Med.Chem., 55, 2012
4O33
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BU of 4o33 by Molmil
Crystal Structure of human PGK1 3PG and terazosin(TZN) ternary complex
Descriptor: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
Authors:Li, X.L, Finci, L.I, Wang, J.H.
Deposit date:2013-12-18
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
4O3F
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BU of 4o3f by Molmil
Crystal Structure of mouse PGK1 3PG and terazosin(TZN) ternary complex
Descriptor: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
Authors:Li, X.L, Finci, I.L, Wang, J.H.
Deposit date:2013-12-18
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Terazosin activates Pgk1 and Hsp90 to promote stress resistance.
Nat.Chem.Biol., 11, 2015
6AIB
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BU of 6aib by Molmil
Crystal structures of the N-terminal RecA-like domain 1 of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA
Descriptor: DEAD-box ATP-dependent RNA helicase CshA
Authors:Chengliang, W, Tian, T, Xiaobao, C, Xuan, Z, Jianye, Z.
Deposit date:2018-08-22
Release date:2018-11-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP
Acta Crystallogr F Struct Biol Commun, 74, 2018
6AIC
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BU of 6aic by Molmil
Crystal structures of the N-terminal domain of Staphylococcus aureus DEAD-box Cold shock RNA helicase CshA in complex with AMP
Descriptor: ADENOSINE MONOPHOSPHATE, DEAD-box ATP-dependent RNA helicase CshA
Authors:Tian, T, Chengliang, W, Xiaobao, C, Xuan, Z, Jianye, Z.
Deposit date:2018-08-22
Release date:2018-11-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the N-terminal domain of the Staphylococcus aureus DEAD-box RNA helicase CshA and its complex with AMP
Acta Crystallogr F Struct Biol Commun, 74, 2018

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