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7C8G
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BU of 7c8g by Molmil
Structure of alginate lyase AlyC3
Descriptor: Alginate lyase AlyC3, GLYCEROL, SUCCINIC ACID
Authors:Zhang, Y.Z, Xu, F, Chen, X.L, Wang, P.
Deposit date:2020-05-30
Release date:2020-10-07
Last modified:2020-12-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and molecular basis for the substrate positioning mechanism of a new PL7 subfamily alginate lyase from the arctic.
J.Biol.Chem., 295, 2020
7C8F
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BU of 7c8f by Molmil
Structure of alginate lyase AlyC3 in complex with dimannuronate(2M)
Descriptor: H127A/Y244A mutant of alginate lyase AlyC3 in complex with dimannuronate, MALONATE ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Zhang, Y.Z, Xu, F, Chen, X.L, Wang, P.
Deposit date:2020-05-30
Release date:2020-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:Structural and molecular basis for the substrate positioning mechanism of a new PL7 subfamily alginate lyase from the arctic.
J.Biol.Chem., 295, 2020
6IHK
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BU of 6ihk by Molmil
Structure of MMPA CoA ligase in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AMP-binding domain protein
Authors:Shao, X, Cao, H.Y, Wang, P, Li, C.Y, Zhao, F, Peng, M, Chen, X.L, Zhang, Y.Z.
Deposit date:2018-09-30
Release date:2019-07-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria.
Mol.Microbiol., 111, 2019
6IJB
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BU of 6ijb by Molmil
Structure of 3-methylmercaptopropionate CoA ligase mutant K523A in complex with AMP and MMPA
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(methylsulfanyl)propanoic acid, ADENOSINE MONOPHOSPHATE, ...
Authors:Shao, X, Cao, H.Y, Wang, P, Li, C.Y, Zhao, F, Peng, M, Chen, X.L, Zhang, Y.Z.
Deposit date:2018-10-09
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.111 Å)
Cite:Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria.
Mol.Microbiol., 111, 2019
6IMQ
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BU of 6imq by Molmil
Crystal structure of PML B1-box multimers
Descriptor: CHLORIDE ION, Protein PML, ZINC ION
Authors:Li, Y, Ma, X, Chen, Z, Wu, H, Wang, P, Wu, W, Cheng, N, Zeng, L, Zhang, H, Cai, X, Chen, S.J, Chen, Z, Meng, G.
Deposit date:2018-10-23
Release date:2019-07-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:B1 oligomerization regulates PML nuclear body biogenesis and leukemogenesis.
Nat Commun, 10, 2019
6IJC
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BU of 6ijc by Molmil
Structure of MMPA-CoA dehydrogenase from Roseovarius nubinhibens ISM
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Acyl-CoA dehydrogenase family protein
Authors:Shao, X, Yuan, Z.L, Cao, H.Y, Wang, P, Li, C.Y, Chen, X.L, Zhang, Y.Z.
Deposit date:2018-10-09
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanistic insight into 3-methylmercaptopropionate metabolism and kinetical regulation of demethylation pathway in marine dimethylsulfoniopropionate-catabolizing bacteria.
Mol.Microbiol., 111, 2019
7XR8
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BU of 7xr8 by Molmil
Structure of the S8 family protease A4095
Descriptor: Major intracellular serine protease
Authors:Cheng, J.H, Cao, H.Y, Wang, P.
Deposit date:2022-05-09
Release date:2023-05-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure of the S8 family protease A4095
To Be Published
7Y1U
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BU of 7y1u by Molmil
Crystal structure of isocitrate dehydrogenase from Campylobacter corcagiensis
Descriptor: 1,2-ETHANEDIOL, Isocitrate dehydrogenase [NADP], MANGANESE (II) ION, ...
Authors:Bian, M.J, Cheng, Q.P, Wang, P, Zhu, G.P.
Deposit date:2022-06-08
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of isocitrate dehydrogenase from Campylobacter corcagiensis
To Be Published
7N5H
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BU of 7n5h by Molmil
Cryo-EM structure of broadly neutralizing antibody 2-36 in complex with prefusion SARS-CoV-2 spike glycoprotein
Descriptor: 2-36 Fab heavy chain, 2-36 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Casner, R.G, Cerutti, G, Shapiro, L.
Deposit date:2021-06-05
Release date:2021-11-03
Last modified:2022-11-16
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:A monoclonal antibody that neutralizes SARS-CoV-2 variants, SARS-CoV, and other sarbecoviruses.
Emerg Microbes Infect, 11, 2022
7VP9
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BU of 7vp9 by Molmil
Crystal structure of human ClpP in complex with ZG111
Descriptor: (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ...
Authors:Wang, P.Y, Gan, J.H, Yang, C.-G.
Deposit date:2021-10-15
Release date:2022-06-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.552 Å)
Cite:Aberrant human ClpP activation disturbs mitochondrial proteome homeostasis to suppress pancreatic ductal adenocarcinoma.
Cell Chem Biol, 29, 2022
7S4G
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BU of 7s4g by Molmil
Fab fragment bound to the Cter peptide of Ly6G6D
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Lymphocyte antigen 6 complex locus protein G6d, ...
Authors:Rouge, L, Lupardus, P.
Deposit date:2021-09-08
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel Anti-LY6G6D/CD3 T-Cell-Dependent Bispecific Antibody for the Treatment of Colorectal Cancer.
Mol.Cancer Ther., 21, 2022
1FHR
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BU of 1fhr by Molmil
SOLUTION STRUCTURE OF THE FHA2 DOMAIN OF RAD53 COMPLEXED WITH A PHOSPHOTYROSYL PEPTIDE
Descriptor: DNA REPAIR PROTEIN RAD9, PROTEIN KINASE SPK1
Authors:Byeon, I.-J.L, Liao, H, Yongkiettrakul, S, Tsai, M.-D.
Deposit date:2000-08-02
Release date:2000-10-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:II. Structure and specificity of the interaction between the FHA2 domain of Rad53 and phosphotyrosyl peptides.
J.Mol.Biol., 302, 2000
1FHQ
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BU of 1fhq by Molmil
REFINED SOLUTION STRUCTURE OF THE FHA2 DOMAIN OF RAD53
Descriptor: PROTEIN KINASE SPK1
Authors:Byeon, I.-J.L, Liao, H, Tsai, M.-D.
Deposit date:2000-08-02
Release date:2000-10-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:II. Structure and specificity of the interaction between the FHA2 domain of Rad53 and phosphotyrosyl peptides.
J.Mol.Biol., 302, 2000
4PY4
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BU of 4py4 by Molmil
Crystal structure of human poly(ADP-ribose) polymerase 14, catalytic domain in complex with an inhibitor XL2
Descriptor: 2-({4-[(1R)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide, Poly [ADP-ribose] polymerase 14
Authors:Li, J, Xu, Y.
Deposit date:2014-03-26
Release date:2015-04-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Palladium-catalyzed N-arylation of 2-aminobenzothiazole-4-carboxylates/carboxamides: facile synthesis of PARP14 inhibitors
Tetrahedron, 70, 2017
7M8K
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BU of 7m8k by Molmil
Cryo-EM structure of Brazil (P.1) SARS-CoV-2 spike glycoprotein variant in the prefusion state (1 RBD up)
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:Casner, R.G, Cerutti, G, Shapiro, L, Ho, D.D.
Deposit date:2021-03-29
Release date:2021-05-05
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY
Cite:Increased resistance of SARS-CoV-2 variant P.1 to antibody neutralization.
Cell Host Microbe, 29, 2021
7E6Q
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BU of 7e6q by Molmil
Crystal structure of influenza A virus neuraminidase N5 complexed with 4'-phenyl-1,2,3-triazolylated oseltamivir carboxylate
Descriptor: (3R,4R,5S)-4-acetamido-3-pentan-3-yloxy-5-(4-phenyl-1,2,3-triazol-1-yl)cyclohexene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Wang, P.F, Babayemi, O.O, Li, C.N, Fu, L.F, Zhang, S.S, Qi, J.X, Lv, X, Li, X.B.
Deposit date:2021-02-23
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design of 5'-substituted 1,2,3-triazolylated oseltamivir derivatives as potent influenza neuraminidase inhibitors.
Rsc Adv, 11, 2021
7EDO
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BU of 7edo by Molmil
First insight into marsupial MHC I peptide presentation: immune features of lower mammals paralleled with bats
Descriptor: Beta-2-microglobulin, CYS-ASN-VAL-THR-LEU-ASN-TYR-PRO, MHC class I antigen
Authors:Wang, P.Y, Yue, C, Lu, D, Liu, K.F, Liu, S, Yao, S.J, Chai, Y, Qi, J.X, Lou, Y.L, Sun, Z.Y, Gao, G.F, Liu, W.J.
Deposit date:2021-03-16
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Peptide Presentations of Marsupial MHC Class I Visualize Immune Features of Lower Mammals Paralleled with Bats.
J Immunol., 207, 2021
7RX8
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BU of 7rx8 by Molmil
Structure of METTL3-METTL14(R298H) mutant methyltransferase complex
Descriptor: N6-adenosine-methyltransferase 70 kDa subunit, N6-adenosine-methyltransferase non-catalytic subunit
Authors:Wang, P, Nam, Y.
Deposit date:2021-08-21
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of METTL3-METTL14(R298H) mutant methyltransferase complex
To Be Published
7RX7
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BU of 7rx7 by Molmil
Structure of METTL3-METTL14(R298P) mutant methyltransferase complex
Descriptor: N6-adenosine-methyltransferase 70 kDa subunit, N6-adenosine-methyltransferase non-catalytic subunit
Authors:Wang, P, Nam, Y.
Deposit date:2021-08-21
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.645 Å)
Cite:Structure of METTL3-METTL14(R298P) mutant methyltransferase complex
To Be Published
7RX6
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BU of 7rx6 by Molmil
Structure of METTL3-METTL14(R298C) mutant methyltransferase complex
Descriptor: N6-adenosine-methyltransferase 70 kDa subunit, N6-adenosine-methyltransferase non-catalytic subunit
Authors:Wang, P, Nam, Y.
Deposit date:2021-08-21
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of METTL3-METTL14(R298C) mutant methyltransferase complex
To Be Published
6XLU
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BU of 6xlu by Molmil
Structure of SARS-CoV-2 spike at pH 4.0
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:Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D.
Deposit date:2020-06-29
Release date:2020-08-12
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
6XM3
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BU of 6xm3 by Molmil
Structure of SARS-CoV-2 spike at pH 5.5, single RBD up, conformation 1
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:Zhou, T, Tsybovsky, Y, Olia, A, Kwong, P.D.
Deposit date:2020-06-29
Release date:2020-08-12
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
3KCU
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BU of 3kcu by Molmil
Structure of formate channel
Descriptor: 2-(6-(2-CYCLOHEXYLETHOXY)-TETRAHYDRO-4,5-DIHYDROXY-2(HYDROXYMETHYL)-2H-PYRAN-3-YLOXY)-TETRAHYDRO-6(HYDROXYMETHYL)-2H-PY RAN-3,4,5-TRIOL, Probable formate transporter 1
Authors:Wang, Y, Huang, Y, Wang, J, Yan, N, Shi, Y.
Deposit date:2009-10-22
Release date:2009-12-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.243 Å)
Cite:Structure of the formate transporter FocA reveals a pentameric aquaporin-like channel
Nature, 462, 2009
3KCV
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BU of 3kcv by Molmil
Structure of formate channel
Descriptor: Probable formate transporter 1
Authors:Wang, Y, Huang, Y, Wang, J, Yan, N, Shi, Y.
Deposit date:2009-10-22
Release date:2009-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.198 Å)
Cite:Structure of the formate transporter FocA reveals a pentameric aquaporin-like channel
Nature, 462, 2009
8BI2
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BU of 8bi2 by Molmil
Syk kinase domain in complex with macrocyclic inhibitor 20a
Descriptor: 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK
Authors:Read, J.A, Patel, J.
Deposit date:2022-11-01
Release date:2023-06-14
Last modified:2023-06-21
Method:X-RAY DIFFRACTION (1.508 Å)
Cite:Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors.
Bioorg.Med.Chem.Lett., 91, 2023

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