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7V6L
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BU of 7v6l by Molmil
LcCOMT in complex with SAH
Descriptor: LcCOMT, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Yu, Y, CHen, Q.
Deposit date:2021-08-20
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Structure basis of the caffeic acid O-methyltransferase from Ligusiticum chuanxiong to understand its selective mechanism.
Int.J.Biol.Macromol., 194, 2022
4L08
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BU of 4l08 by Molmil
Crystal structure of the maleamate amidase Ami(C149A) in complex with maleate from Pseudomonas putida S16
Descriptor: Hydrolase, isochorismatase family, MALEIC ACID
Authors:Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P.
Deposit date:2013-05-31
Release date:2014-07-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
8WBB
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BU of 8wbb by Molmil
CryoEM structure of non-structural protein 1 dimer from dengue virus type 4
Descriptor: Genome polyprotein
Authors:Jiao, H.Z, Pan, Q, Hu, H.L.
Deposit date:2023-09-09
Release date:2024-05-22
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The step-by-step assembly mechanism of secreted flavivirus NS1 tetramer and hexamer captured at atomic resolution.
Sci Adv, 10, 2024
8WBE
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BU of 8wbe by Molmil
CryoEM structure of non-structural protein 1 hexamer 2 from dengue virus type 4
Descriptor: Non-structural protein 1
Authors:Jiao, H.Z, Pan, Q, Hu, H.L.
Deposit date:2023-09-09
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The step-by-step assembly mechanism of secreted flavivirus NS1 tetramer and hexamer captured at atomic resolution.
Sci Adv, 10, 2024
8WBC
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BU of 8wbc by Molmil
CryoEM structure of non-structural protein 1 tetramer from dengue virus type 4
Descriptor: Genome polyprotein
Authors:Jiao, H.Z, Pan, Q, Hu, H.L.
Deposit date:2023-09-09
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:The step-by-step assembly mechanism of secreted flavivirus NS1 tetramer and hexamer captured at atomic resolution.
Sci Adv, 10, 2024
8WBD
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BU of 8wbd by Molmil
CryoEM structure of non-structural protein 1 hexamer 1 from dengue virus type 4
Descriptor: Genome polyprotein, TRISTEAROYLGLYCEROL
Authors:Jiao, H.Z, Pan, Q, Hu, H.L.
Deposit date:2023-09-09
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The step-by-step assembly mechanism of secreted flavivirus NS1 tetramer and hexamer captured at atomic resolution.
Sci Adv, 10, 2024
4L07
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BU of 4l07 by Molmil
Crystal structure of the maleamate amidase Ami from Pseudomonas putida S16
Descriptor: GLYCEROL, Hydrolase, isochorismatase family, ...
Authors:Chen, D.D, Lu, Y, Zhang, Z, Wu, G, Xu, P.
Deposit date:2013-05-30
Release date:2014-07-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into the specific recognition of N-heterocycle biodenitrogenation-derived substrates by microbial amide hydrolases.
Mol.Microbiol., 91, 2014
8HDU
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BU of 8hdu by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
8HDV
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BU of 8hdv by Molmil
De novo design cavitated protein without predefined topology
Descriptor: De novo design cavitated protein
Authors:Hu, X, Xu, Y.
Deposit date:2022-11-06
Release date:2023-01-18
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:De novo design of cavity-containing proteins with a backbone-centered neural network energy function.
Structure, 32, 2024
7CWO
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BU of 7cwo by Molmil
SARS-CoV-2 spike protein RBD and P17 fab complex
Descriptor: Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab
Authors:Wang, X, Wang, N.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWL
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BU of 7cwl by Molmil
SARS-CoV-2 spike protein and P17 fab complex with one RBD in close state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab P17 heavy chain, Fab P17 light chain, ...
Authors:Wang, X, Wang, N.
Deposit date:2020-08-29
Release date:2021-01-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWM
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BU of 7cwm by Molmil
Complex of SARS-CoV-2 spike protein and Fab P17 with one RBD in open state and two RBD in closed state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P17 heavy chain, ...
Authors:Wang, N, Wang, X.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
7CWN
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BU of 7cwn by Molmil
P17-H014 Fab cocktail in complex with SARS-CoV-2 spike protein
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:Wang, N, Wang, X.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
8PM2
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BU of 8pm2 by Molmil
Structure of the murine trace amine-associated receptor TAAR7f bound to N,N-dimethylcyclohexylamine (DMCH) in complex with mini-Gs trimeric G protein
Descriptor: CHOLESTEROL HEMISUCCINATE, 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:Gusach, A, Lee, Y, Edwards, P.C, Huang, F, Weyand, S.N, Tate, C.G.
Deposit date:2023-06-28
Release date:2023-08-09
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:Molecular recognition of an aversive odorant by the murine trace amine-associated receptor TAAR7f.
Biorxiv, 2023
9C10
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BU of 9c10 by Molmil
AMG 193, a clinical stage MTA-cooperative PRMT5 inhibitor, drives anti-tumor activity preclinically and in patients with MTAP-deleted cancers
Descriptor: (4-amino-1,3-dihydrofuro[3,4-c][1,7]naphthyridin-8-yl){(3S)-3-[4-(trifluoromethyl)phenyl]morpholin-4-yl}methanone, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DIMETHYL SULFOXIDE, ...
Authors:Ghimire-Rijal, S, Mukund, S.
Deposit date:2024-05-28
Release date:2024-10-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:AMG 193, a Clinical Stage MTA-Cooperative PRMT5 Inhibitor, Drives Antitumor Activity Preclinically and in Patients With MTAP-Deleted Cancers.
Cancer Discov, 2024
1U4A
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BU of 1u4a by Molmil
Solution structure of human SUMO-3 C47S
Descriptor: Ubiquitin-like protein SMT3A
Authors:Ding, H, Xu, Y, Dai, H, Tang, Y, Wu, J, Shi, Y.
Deposit date:2004-07-23
Release date:2005-03-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution Structure of Human SUMO-3 C47S and Its Binding Surface for Ubc9
Biochemistry, 44, 2005
8HNK
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BU of 8hnk by Molmil
CXCR3-DNGi complex activated by CXCL11
Descriptor: C-X-C motif chemokine 11, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Jiao, H.Z, Hu, H.L.
Deposit date:2022-12-08
Release date:2023-11-29
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
8HNN
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BU of 8hnn by Molmil
Structure of CXCR3 complexed with antagonist SCH546738
Descriptor: 3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide, CHOLESTEROL, Nb6, ...
Authors:Jiao, H.Z, Hu, H.L.
Deposit date:2022-12-08
Release date:2023-11-29
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
8HNL
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BU of 8hnl by Molmil
CXCR3-DNGi complex activated by PS372424
Descriptor: (3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Jiao, H.Z, Hu, H.L.
Deposit date:2022-12-08
Release date:2023-11-29
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
8HNM
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BU of 8hnm by Molmil
CXCR3-DNGi complex activated by VUF11222
Descriptor: CHOLESTEROL, 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:Jiao, H.Z, Hu, H.L.
Deposit date:2022-12-08
Release date:2023-11-29
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural insights into the activation and inhibition of CXC chemokine receptor 3.
Nat.Struct.Mol.Biol., 31, 2024
5ZNY
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BU of 5zny by Molmil
Structure of mDR3_DD-C363G with MBP tag
Descriptor: Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION
Authors:Yin, X, Jin, T.
Deposit date:2018-04-11
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5ZNZ
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BU of 5znz by Molmil
Structure of mDR3 DD with MBP tag mutant-I387V
Descriptor: Maltose-binding periplasmic protein,Tumor necrosis factor receptor superfamily, member 25, SULFATE ION
Authors:Jin, T, Yin, X.
Deposit date:2018-04-12
Release date:2019-04-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure and activation mechanism of DR3 death domain.
Febs J., 286, 2019
5YXI
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BU of 5yxi by Molmil
Designed protein dRafX6
Descriptor: Designed protein dRafX6
Authors:Liu, R.
Deposit date:2017-12-05
Release date:2018-12-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo sequence redesign of a functional Ras-binding domain globally inverted the surface charge distribution and led to extreme thermostability.
Biotechnol.Bioeng., 118, 2021
8BT6
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BU of 8bt6 by Molmil
Crystal structure of Toxoplasma gondii glideosome-associated connector
Descriptor: ACETATE ION, POTASSIUM ION, Putative anonymous antigen-1
Authors:Hung, Y.F, Kursula, I.
Deposit date:2022-11-27
Release date:2023-04-05
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of Toxoplasma gondii glideosome-associated connector suggests a role as an elastic element to assist myosin A in generating force for gliding motility
To Be Published
3X21
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BU of 3x21 by Molmil
Crystal structure of Escherichia coli nitroreductase NfsB mutant T41L/N71S/F124W
Descriptor: FLAVIN MONONUCLEOTIDE, Oxygen-insensitive NAD(P)H nitroreductase
Authors:Bai, J, Yang, J, Zhou, Y, Yang, Q.
Deposit date:2014-12-06
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Altering the regioselectivity of a nitroreductase in the synthesis of arylhydroxylamines by structure-based engineering.
Chembiochem, 16, 2015

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