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PDB: 752 results

5D57
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BU of 5d57 by Molmil
In meso X-ray crystallography structure of diacylglycerol kinase, DgkA, at 100 K
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Diacylglycerol kinase
Authors:Huang, C.-Y, Howe, N, Olieric, V, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
4A3Y
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BU of 4a3y by Molmil
Crystal structure of Raucaffricine glucosidase from ajmaline biosynthesis pathway
Descriptor: GLYCEROL, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION
Authors:Xia, L, Ruppert, M, Wang, M, Panjikar, S, Barleben, L, Rajendran, C, Lin, H, Stoeckigt, J.
Deposit date:2011-10-06
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of Alkaloid Biosynthetic Glucosidases Decode Substrate Specificity.
Acs Chem.Biol., 7, 2012
4DBF
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BU of 4dbf by Molmil
Crystal structures of Cg1458
Descriptor: 2-HYDROXYHEPTA-2,4-DIENE-1,7-DIOATE ISOMERASE, MAGNESIUM ION
Authors:Ran, T.T, Xu, D.Q, Wang, W.W, Gao, Y.Y, Wang, M.T.
Deposit date:2012-01-15
Release date:2012-11-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of Cg1458 reveal a catalytic lid domain and a common catalytic mechanism for FAH family.
Biochem.J., 449, 2013
4IAO
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BU of 4iao by Molmil
Crystal structure of Sir2 C543S mutant in complex with SID domain of Sir4
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent histone deacetylase SIR2, Regulatory protein SIR4, ...
Authors:Hsu, H.C, Wang, C.L, Wang, M, Yang, N, Chen, Z, Sternglanz, R, Xu, R.M.
Deposit date:2012-12-07
Release date:2012-12-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structural basis for allosteric stimulation of Sir2 activity by Sir4 binding
Genes Dev., 27, 2013
3ZJ8
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BU of 3zj8 by Molmil
Crystal structure of strictosidine glucosidase in complex with inhibitor-2
Descriptor: (1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE
Authors:Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J.
Deposit date:2013-01-17
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
6YWK
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BU of 6ywk by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with HEPES
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
5D56
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BU of 5d56 by Molmil
In meso in situ serial X-ray crystallography structure of diacylglycerol kinase, DgkA, at 100 K
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, ACETATE ION, CITRATE ANION, ...
Authors:Huang, C.-Y, Howe, N, Olieric, V, Warshamanage, R, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
5D58
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BU of 5d58 by Molmil
In meso in situ serial X-ray crystallography structure of the PepTSt-Ala-Phe complex at 100 K
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ALANINE, ...
Authors:Huang, C.-Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-08-10
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Crystallogr D Struct Biol, 72, 2016
6YWL
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BU of 6ywl by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, ...
Authors:Schroeder, M, Ni, X, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
6FMV
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BU of 6fmv by Molmil
IMISX-EP of Hg-BacA soaking SIRAS
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, ...
Authors:Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M.
Deposit date:2018-02-02
Release date:2018-09-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
5DGY
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BU of 5dgy by Molmil
Crystal structure of rhodopsin bound to visual arrestin
Descriptor: Endolysin,Rhodopsin,S-arrestin
Authors:Zhou, X.E, Gao, X, Kang, Y, He, Y, de Waal, P.W, Suino-Powell, K.M, Wang, M, Melcher, K, Xu, H.E.
Deposit date:2015-08-28
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (7.7 Å)
Cite:X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex.
Sci Data, 3, 2016
4XJB
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BU of 4xjb by Molmil
X-ray structure of Lysozyme1
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4XJD
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BU of 4xjd by Molmil
X-ray structure of Lysozyme2
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:Huang, C.Y, Olieric, V, Diederichs, K, Wang, M, Caffrey, M.
Deposit date:2015-01-08
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Crystallogr.,Sect.D, 71, 2015
4K47
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BU of 4k47 by Molmil
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct
Descriptor: Leucine--tRNA ligase, SULFATE ION, [(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
Authors:Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D.
Deposit date:2013-04-12
Release date:2013-09-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
6YWM
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BU of 6ywm by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
6FMS
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BU of 6fms by Molmil
IMISX-EP of Se-LspA
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Globomycin, Lipoprotein signal peptidase
Authors:Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M.
Deposit date:2018-02-02
Release date:2018-08-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
4K48
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BU of 4k48 by Molmil
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain
Descriptor: Leucine--tRNA ligase
Authors:Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D.
Deposit date:2013-04-12
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
6FMR
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BU of 6fmr by Molmil
IMISX-EP of Se-PepTSt
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, Di-or tripeptide:H+ symporter, PHOSPHATE ION
Authors:Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M.
Deposit date:2018-02-02
Release date:2018-08-29
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
6FMW
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BU of 6fmw by Molmil
IMISX-EP of Hg-BacA cocrystallization
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MERCURY (II) ION, ...
Authors:Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M.
Deposit date:2018-02-02
Release date:2018-09-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
6KA0
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BU of 6ka0 by Molmil
Silver-bound E.coli Malate dehydrogenase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Malate dehydrogenase, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2019-06-19
Release date:2020-06-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:MDH is a major silver target in E. coli
To Be Published
6FMT
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BU of 6fmt by Molmil
IMISX-EP of Hg-BacA Soaking SAD
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MERCURY (II) ION, ...
Authors:Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M.
Deposit date:2018-02-02
Release date:2018-09-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3 Å)
Cite:In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
6FMY
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BU of 6fmy by Molmil
IMISX-EP of S-PepTSt
Descriptor: (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Di-or tripeptide:H+ symporter, ...
Authors:Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M.
Deposit date:2018-02-02
Release date:2018-09-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:In situ serial crystallography for rapid de novo membrane protein structure determination.
Commun Biol, 1, 2018
5E5A
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BU of 5e5a by Molmil
Crystal structure of the chromatin-tethering domain of Human cytomegalovirus IE1 protein bound to the nucleosome core particle
Descriptor: C-terminal domain of Regulatory protein IE1, DNA (146-MER), Histone H2A, ...
Authors:Fang, Q, Chen, P, Wang, M, Fang, J, Yang, N, Li, G, Xu, R.M.
Deposit date:2015-10-08
Release date:2016-02-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.809 Å)
Cite:Human cytomegalovirus IE1 protein alters the higher-order chromatin structure by targeting the acidic patch of the nucleosome
Elife, 5, 2016
7DK0
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BU of 7dk0 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-11-22
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7DJZ
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BU of 7djz by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-11-22
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022

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