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8B1H
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BU of 8b1h by Molmil
DtpB-Nb132-KV
Descriptor: DECANE, DODECANE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Killer, M, Finocchio, G, Lei, J, Jungnickel, K, Kotov, V, Steinke, J, Bartels, K, Strauss, J, Dupeux, F, Humm, A.S, Cornaciu, I, Marquez, J, Pardon, E, Steyeart, J, Loew, C.
Deposit date:2022-09-09
Release date:2023-08-09
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Plasticity of the binding pocket in peptide transporters underpins promiscuous substrate recognition.
Cell Rep, 42, 2023
9IVQ
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BU of 9ivq by Molmil
Cryo-EM structure of the CHIKV nsP3 peptide in complex with the NTF2L domain of G3BP1 (Conformation I)
Descriptor: Polyprotein P1234, Ras GTPase-activating protein-binding protein 1
Authors:Wang, J, Liu, Y.Z, Lei, J, Wang, K.T.
Deposit date:2024-07-24
Release date:2025-04-09
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Cryo-EM reveals a double oligomeric ring scaffold of the CHIKV nsP3 peptide in complex with the NTF2L domain of host G3BP1.
Mbio, 16, 2025
9IVS
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BU of 9ivs by Molmil
Cryo-EM structure of the CHIKV nsP3 peptide in complex with the NTF2L domain of G3BP1 (Conformation III)
Descriptor: Polyprotein P1234, Ras GTPase-activating protein-binding protein 1
Authors:Wang, J, Liu, Y.Z, Lei, J, Wang, K.T.
Deposit date:2024-07-24
Release date:2025-04-09
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Cryo-EM reveals a double oligomeric ring scaffold of the CHIKV nsP3 peptide in complex with the NTF2L domain of host G3BP1.
Mbio, 16, 2025
5XJC
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BU of 5xjc by Molmil
Cryo-EM structure of the human spliceosome just prior to exon ligation at 3.6 angstrom
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, X, Yan, C, Hang, J, Finci, I.L, Lei, J, Shi, Y.
Deposit date:2017-04-30
Release date:2017-07-05
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:An Atomic Structure of the Human Spliceosome
Cell, 169, 2017
9IVR
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BU of 9ivr by Molmil
Cryo-EM structure of the CHIKV nsP3 peptide in complex with the NTF2L domain of G3BP1 (Conformation II)
Descriptor: Polyprotein P1234, Ras GTPase-activating protein-binding protein 1
Authors:Wang, J, Liu, Y.Z, Lei, J, Wang, K.T.
Deposit date:2024-07-24
Release date:2025-04-09
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Cryo-EM reveals a double oligomeric ring scaffold of the CHIKV nsP3 peptide in complex with the NTF2L domain of host G3BP1.
Mbio, 16, 2025
4WTP
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BU of 4wtp by Molmil
Crystal structure of glycoside hydrolase family 17 beta-1,3-glucanosyltransferase from Rhizomucor miehei
Descriptor: 1,2-ETHANEDIOL, beta-1,3-glucanosyltransferase
Authors:Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
Deposit date:2014-10-30
Release date:2015-08-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
4WTS
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BU of 4wts by Molmil
Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaritriose
Descriptor: beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
Deposit date:2014-10-30
Release date:2015-08-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
4WTR
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BU of 4wtr by Molmil
Active-site mutant of Rhizomucor miehei beta-1,3-glucanosyltransferase in complex with laminaribiose
Descriptor: beta-1,3-glucanosyltransferase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Qin, Z, Yan, Q, Lei, J, Yang, S, Jiang, Z.
Deposit date:2014-10-30
Release date:2015-08-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:The first crystal structure of a glycoside hydrolase family 17 beta-1,3-glucanosyltransferase displays a unique catalytic cleft.
Acta Crystallogr.,Sect.D, 71, 2015
9J5S
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BU of 9j5s by Molmil
Crystal structure of human G3BP1 in complex with CHIKV nsP3 peptide
Descriptor: Polyprotein P1234, Ras GTPase-activating protein-binding protein 1
Authors:Liu, Y.Z, Lei, J.
Deposit date:2024-08-13
Release date:2025-04-09
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Cryo-EM reveals a double oligomeric ring scaffold of the CHIKV nsP3 peptide in complex with the NTF2L domain of host G3BP1.
Mbio, 16, 2025
3O5Z
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BU of 3o5z by Molmil
Crystal structure of the SH3 domain from p85beta subunit of phosphoinositide 3-kinase (PI3K)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit beta
Authors:Chen, S, Xiao, Y, Ponnusamy, R, Tan, J, Lei, J, Hilgenfeld, R.
Deposit date:2010-07-28
Release date:2011-08-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:X-ray structure of the SH3 domain of the phosphoinositide 3-kinase p85 beta subunit
Acta Crystallogr.,Sect.F, 67, 2011
8HHT
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BU of 8hht by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
Authors:Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
Deposit date:2022-11-17
Release date:2023-03-29
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
8HHU
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BU of 8hhu by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with SY110
Descriptor: (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5
Authors:Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
Deposit date:2022-11-17
Release date:2023-03-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.258 Å)
Cite:A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
5YLF
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BU of 5ylf by Molmil
MCR-1 complex with D-glucose
Descriptor: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION, beta-D-glucopyranose
Authors:Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L.
Deposit date:2017-10-17
Release date:2017-11-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
5YLC
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BU of 5ylc by Molmil
Crystal Structure of MCR-1 Catalytic Domain
Descriptor: Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L.
Deposit date:2017-10-17
Release date:2017-11-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
5YLE
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BU of 5yle by Molmil
MCR-1 complex with ethanolamine (ETA)
Descriptor: ETHANOLAMINE, Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION
Authors:Wei, P.C, Song, G.J, Shi, M.Y, Zhou, Y.F, Liu, Y, Lei, J, Chen, P, Yin, L.
Deposit date:2017-10-17
Release date:2017-11-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Substrate analog interaction with MCR-1 offers insight into the rising threat of the plasmid-mediated transferable colistin resistance.
FASEB J., 32, 2018
8WGX
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BU of 8wgx by Molmil
Cryo-EM structure of inward-open state human norepinephrine transporter NET bound with norepinephrine in nanodisc.
Descriptor: L-NOREPINEPHRINE, Sodium-dependent noradrenaline transporter
Authors:Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
Deposit date:2023-09-22
Release date:2024-07-31
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
8WGR
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BU of 8wgr by Molmil
Cryo-EM structure of inward-open state human norepinephrine transporter NET bound with antidepressant desipramine in KCl condition.
Descriptor: 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, CHLORIDE ION, POTASSIUM ION, ...
Authors:Tan, J, Xiao, Y, Kong, F, Lei, J, Yuan, Y, Yan, C.
Deposit date:2023-09-22
Release date:2024-07-31
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Molecular basis of human noradrenaline transporter reuptake and inhibition.
Nature, 632, 2024
3J3T
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BU of 3j3t by Molmil
Structural dynamics of the MecA-ClpC complex revealed by cryo-EM
Descriptor: Adapter protein MecA 1, Negative regulator of genetic competence ClpC/MecB
Authors:Liu, J, Mei, Z, Li, N, Qi, Y, Xu, Y, Shi, Y, Wang, F, Lei, J, Gao, N.
Deposit date:2013-04-18
Release date:2013-05-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Structural dynamics of the MecA-ClpC complex: a type II AAA+ protein unfolding machine.
J.Biol.Chem., 288, 2013
3J8G
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BU of 3j8g by Molmil
Electron cryo-microscopy structure of EngA bound with the 50S ribosomal subunit
Descriptor: 23S rRNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ...
Authors:Zhang, X, Yan, K, Zhang, Y, Li, N, Ma, C, Li, Z, Zhang, Y, Feng, B, Liu, J, Sun, Y, Xu, Y, Lei, J, Gao, N.
Deposit date:2014-10-24
Release date:2014-11-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structural insights into the function of a unique tandem GTPase EngA in bacterial ribosome assembly
Nucleic Acids Res., 2014
3J3R
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BU of 3j3r by Molmil
Structural dynamics of the MecA-ClpC complex revealed by cryo-EM
Descriptor: Adapter protein MecA 1, Negative regulator of genetic competence ClpC/MecB
Authors:Liu, J, Mei, Z, Li, N, Qi, Y, Xu, Y, Shi, Y, Wang, F, Lei, J, Gao, N.
Deposit date:2013-04-18
Release date:2013-05-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:Structural dynamics of the MecA-ClpC complex: a type II AAA+ protein unfolding machine
J.Biol.Chem., 288, 2013
3J3U
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BU of 3j3u by Molmil
Structural dynamics of the MecA-ClpC complex revealed by cryo-EM
Descriptor: Adapter protein MecA 1, Negative regulator of genetic competence ClpC/MecB
Authors:Liu, J, Mei, Z, Li, N, Qi, Y, Xu, Y, Shi, Y, Wang, F, Lei, J, Gao, N.
Deposit date:2013-04-18
Release date:2013-05-15
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Structural dynamics of the MecA-ClpC complex: a type II AAA+ protein unfolding machine.
J.Biol.Chem., 288, 2013
6LQG
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BU of 6lqg by Molmil
Human gamma-secretase in complex with small molecule Avagacestat
Descriptor: (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y.
Deposit date:2020-01-13
Release date:2021-01-27
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
6LR4
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BU of 6lr4 by Molmil
Molecular basis for inhibition of human gamma-secretase by small molecule
Descriptor: (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yang, G, Zhou, R, Guo, X, Lei, J, Shi, Y.
Deposit date:2020-01-15
Release date:2021-01-27
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
6LZ0
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BU of 6lz0 by Molmil
Cryo-EM structure of human MCT1 in complex with Basigin-2 in the presence of lactate
Descriptor: (2S)-2-HYDROXYPROPANOIC ACID, Basigin, Monocarboxylate transporter 1
Authors:Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C.
Deposit date:2020-02-16
Release date:2020-12-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates.
Cell, 184, 2021
9IZB
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BU of 9izb by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with TMP1
Descriptor: 3C-like proteinase nsp5, TMP1
Authors:Deng, X.Y, Zeng, R, Yang, S.Y, Lei, J.
Deposit date:2024-08-01
Release date:2025-05-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of SARS-CoV-2 main protease in complex with TMP1
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