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7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
Descriptor: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Hou, N, Peng, C, Hu, Q.
Deposit date:2021-04-16
Release date:2022-07-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EPX
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BU of 7epx by Molmil
S protein of SARS-CoV-2 in complex with GW01
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Shen, Y.P, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q.
Deposit date:2021-04-28
Release date:2022-05-18
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Novel sarbecovirus bispecific neutralizing antibodies with exceptional breadth and potency against currently circulating SARS-CoV-2 variants and sarbecoviruses.
Cell Discov, 8, 2022
7LZ4
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BU of 7lz4 by Molmil
Crystal structure of A211D mutant of Protein Kinase A RIa subunit, a Carney Complex mutation
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase type I-alpha regulatory subunit, N-terminally processed
Authors:Del Rio, J, Wu, J, Taylor, S.S.
Deposit date:2021-03-08
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.155 Å)
Cite:Noncanonical protein kinase A activation by oligomerization of regulatory subunits as revealed by inherited Carney complex mutations.
Proc.Natl.Acad.Sci.USA, 118, 2021
7V1N
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BU of 7v1n by Molmil
Structure of the Clade 2 C. difficile TcdB in complex with its receptor TFPI
Descriptor: Isoform Beta of Tissue factor pathway inhibitor, Toxin B
Authors:Luo, J, Yang, Q, Zhang, X, Zhang, Y, Wan, L, Li, Y, Tao, L.
Deposit date:2021-08-05
Release date:2022-02-23
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:TFPI is a colonic crypt receptor for TcdB from hypervirulent clade 2 C. difficile.
Cell, 185, 2022
6YPZ
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BU of 6ypz by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ...
Authors:Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
Deposit date:2020-04-16
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
6YQ6
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BU of 6yq6 by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ...
Authors:Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
Deposit date:2020-04-16
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
6YQ3
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BU of 6yq3 by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
Descriptor: (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,2-ETHANEDIOL, Monooxygenase, ...
Authors:Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
Deposit date:2020-04-16
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
6YQ0
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BU of 6yq0 by Molmil
Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis
Descriptor: (3~{R})-8-methoxy-3-methyl-3-oxidanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,2-ETHANEDIOL, Monooxygenase, ...
Authors:Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P.
Deposit date:2020-04-16
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway.
Acs Chem.Biol., 15, 2020
7VEG
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BU of 7veg by Molmil
Understanding NH-pi interaction between Gln and Phe
Descriptor: (2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide, ACETYLAMINO-ACETIC ACID, peptide
Authors:Fan, S, Xu, F.
Deposit date:2021-09-08
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.385 Å)
Cite:Structural Achievability of an NH-pi Interaction between Gln and Phe in a Crystal Structure of a Collagen-like Peptide.
Biomolecules, 12, 2022
7UR4
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BU of 7ur4 by Molmil
Cryo-EM Structure of the Neutralizing Antibody MPV467 in Complex with Prefusion Human Metapneumovirus F Glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, MPV467 Fab Heavy chain, ...
Authors:Rush, S.A, McLellan, J.S.
Deposit date:2022-04-21
Release date:2022-06-08
Last modified:2022-06-29
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structural basis for ultrapotent antibody-mediated neutralization of human metapneumovirus.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WOS
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BU of 7wos by Molmil
The state 3 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ...
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7WOQ
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BU of 7woq by Molmil
The state 1 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7WOU
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BU of 7wou by Molmil
The state 4 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ...
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7WOP
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BU of 7wop by Molmil
The local refined map of Omicron spike with bispecific antibody FD01
Descriptor: 16L9, GW01, Spike protein S1
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7WOR
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BU of 7wor by Molmil
The state 2 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ...
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7WOV
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BU of 7wov by Molmil
The state 5 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, 2-acetamido-2-deoxy-beta-D-glucopyranose, GW01 Fv, ...
Authors:Zhang, X, Zhan, W.Q, Sun, L, Chen, Z.G.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7WOW
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BU of 7wow by Molmil
The state 6 of Omicron Spike with bispecific antibody FD01
Descriptor: 16L9 Fv, GW01 Fv, Spike glycoprotein
Authors:Zhang, X, Zhan, W.Q, Chen, Z.G, Sun, L.
Deposit date:2022-01-22
Release date:2022-11-30
Method:ELECTRON MICROSCOPY (6.11 Å)
Cite:Combating the SARS-CoV-2 Omicron (BA.1) and BA.2 with potent bispecific antibodies engineered from non-Omicron neutralizing antibodies
Cell Discov, 8, 2022
7X1N
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BU of 7x1n by Molmil
Crystal structure of MEF2D-MRE complex
Descriptor: DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*G)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), Myocyte enhancer factor 2D/deleted in azoospermia associated protein 1 fusion protein
Authors:Zhang, H, Zhang, M, Wang, Q.Q, Chen, Z, Chen, S.J, Meng, G.
Deposit date:2022-02-24
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.315 Å)
Cite:Functional, structural, and molecular characterizations of the leukemogenic driver MEF2D-HNRNPUL1 fusion.
Blood, 140, 2022
7FIV
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BU of 7fiv by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidA and CidBND1-ND2 from wPip(Tunis)
Descriptor: CidA_I gamma/2 protein, CidB_I b/2 protein
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-08-01
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIW
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BU of 7fiw by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CidAwMel(ST) and CidBND1-ND2 from wPip(Pel)
Descriptor: ULP_PROTEASE domain-containing protein, bacteria factor 4,CidA I(Zeta/1) protein
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-08-01
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIU
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BU of 7fiu by Molmil
Crystal structure of the DUB domain of Wolbachia cytoplasmic incompatibility factor CidB from wMel
Descriptor: ULP_PROTEASE domain-containing protein
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-08-01
Release date:2022-04-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7FIT
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BU of 7fit by Molmil
Crystal structure of Wolbachia cytoplasmic incompatibility factor CidA from wMel
Descriptor: bacteria factor 1
Authors:Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
Deposit date:2021-08-01
Release date:2022-04-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structures of Wolbachia CidA and CidB Reveal Determinants of Bacteria-induced Cytoplasmic Incompatibility and Rescue.
Nat Commun, 13, 2022
7XAC
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BU of 7xac by Molmil
Dimeric structure of human galectin-7 in complex with two glycerol
Descriptor: GLYCEROL, Galectin-7
Authors:Si, Y.L.
Deposit date:2022-03-17
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of Glycerol to Human Galectin-7 Expands Stability and Modulates Its Functions.
Int J Mol Sci, 23, 2022
7XBL
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BU of 7xbl by Molmil
Dimeric structure of human galectin-7 in complex with three glycerol
Descriptor: GLYCEROL, Galectin-7
Authors:Si, Y.L.
Deposit date:2022-03-21
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of Glycerol to Human Galectin-7 Expands Stability and Modulates Its Functions.
Int J Mol Sci, 23, 2022
7WKU
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BU of 7wku by Molmil
Structure of PDCoV Mpro in complex with an inhibitor
Descriptor: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, Peptidase C30
Authors:Wang, F.H, Yang, H.T.
Deposit date:2022-01-11
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Structure of the Porcine Deltacoronavirus Main Protease Reveals a Conserved Target for the Design of Antivirals.
Viruses, 14, 2022

222415

数据于2024-07-10公开中

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