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5FE2
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BU of 5fe2 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment BR013 (fragment 3)
Descriptor: 1,2-ETHANEDIOL, 2-methyl-3~{H}-isoindol-1-one, Histone acetyltransferase KAT2B
Authors:Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
5FE9
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BU of 5fe9 by Molmil
Crystal structure of human PCAF bromodomain in complex with compound SL1122 (compound 13)
Descriptor: 1,2-ETHANEDIOL, Histone acetyltransferase KAT2B, ~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide
Authors:Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-12-16
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
2QR0
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BU of 2qr0 by Molmil
Structure of VEGF complexed to a Fab containing TYR and SER in the CDRs
Descriptor: Fab-Fragment Heavy Chain, Fab-Fragment Light Chain, Vascular endothelial growth factor A
Authors:Wiesmann, C.
Deposit date:2007-07-27
Release date:2007-08-14
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:High-throughput generation of synthetic antibodies from highly functional minimalist phage-displayed libraries
J.Mol.Biol., 373, 2007
8CNC
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BU of 8cnc by Molmil
Structure of compound 1 bound KMT9
Descriptor: 5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine, Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein
Authors:Sheng, W.
Deposit date:2023-02-22
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure of compound 1 bound KMT9
To Be Published
7AHS
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BU of 7ahs by Molmil
titin-N2A Ig81-Ig83
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Isoform 5 of Titin, ...
Authors:Fleming, J.R, Mayans, O.
Deposit date:2020-09-25
Release date:2021-03-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The N2A region of titin has a unique structural configuration.
J.Gen.Physiol., 153, 2021
7BLY
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BU of 7bly by Molmil
Structure of the chitin deacetylase AngCDA from Aspergillus niger
Descriptor: Aspergillus niger contig An12c0130, genomic contig, CHLORIDE ION, ...
Authors:Roret, T, Bonin, M, Hembach, L, Moerschbacher, B.M.
Deposit date:2021-01-19
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:In silico and in vitro analysis of an Aspergillus niger chitin deacetylase to decipher its subsite sugar preferences.
J.Biol.Chem., 297, 2021
1XJD
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BU of 1xjd by Molmil
Crystal Structure of PKC-theta complexed with Staurosporine at 2A resolution
Descriptor: Protein kinase C, theta type, STAUROSPORINE
Authors:Xu, Z.B.
Deposit date:2004-09-23
Release date:2004-10-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalytic domain crystal structure of protein kinase C-theta (PKCtheta)
J.Biol.Chem., 279, 2004
6JVB
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BU of 6jvb by Molmil
Crystal Structure of Human CRMP2 1-532, AGE-modified
Descriptor: Dihydropyrimidinase-related protein 2
Authors:Jiang, X, Ogawa, T, Hirokawa, N.
Deposit date:2019-04-16
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Enhanced carbonyl stress induces irreversible multimerization of CRMP2 in schizophrenia pathogenesis.
Life Sci Alliance, 2, 2019
6G76
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BU of 6g76 by Molmil
Phosphorylated RSK4 N-terminal Kinase Domain in complex with AMP-PNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6, ZINC ION
Authors:Prischi, F, Ali, M.M.
Deposit date:2018-04-04
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer.
Sci Transl Med, 13, 2021
8BXT
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BU of 8bxt by Molmil
Structure of StayGold
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, StayGold
Authors:Ivorra-Molla, E, Akhuli, D, Crow, A.
Deposit date:2022-12-09
Release date:2023-07-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A monomeric StayGold fluorescent protein.
Nat.Biotechnol., 2023
3J0O
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BU of 3j0o by Molmil
Core of mammalian 80S pre-ribosome in complex with tRNAs fitted to a 9A cryo-EM map: classic PRE state 2
Descriptor: 40S ribosomal RNA fragment, 60S ribosomal RNA fragment, Ribosomal protein L10a, ...
Authors:Budkevich, T, Giesebrecht, J, Altman, R, Munro, J, Mielke, T, Nierhaus, K, Blanchard, S, Spahn, C.M.
Deposit date:2011-10-05
Release date:2011-11-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Structure and dynamics of the Mammalian ribosomal pretranslocation complex.
Mol.Cell, 44, 2011
3J0Q
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BU of 3j0q by Molmil
Core of mammalian 80S pre-ribosome in complex with tRNAs fitted to a 10.6A cryo-em map: rotated PRE state 2
Descriptor: 40S ribosomal RNA fragment, 60S ribosomal RNA fragment, Ribosomal protein L10, ...
Authors:Budkevich, T, Giesebrecht, J, Altman, R, Munro, J, Mielke, T, Nierhaus, K, Blanchard, S, Spahn, C.M.
Deposit date:2011-10-11
Release date:2011-11-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (10.6 Å)
Cite:Structure and dynamics of the Mammalian ribosomal pretranslocation complex.
Mol.Cell, 44, 2011
3J0P
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BU of 3j0p by Molmil
Core of mammalian 80S pre-ribosome in complex with tRNAs fitted to a 10.6A cryo-em map: rotated PRE state 1
Descriptor: 40S ribosomal RNA fragment, 60S ribosomal RNA fragment, Ribosomal protein L10a, ...
Authors:Budkevich, T, Giesebrecht, J, Altman, R, Munro, J, Mielke, T, Nierhaus, K, Blanchard, S, Spahn, C.M.
Deposit date:2011-10-06
Release date:2011-11-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (10.6 Å)
Cite:Structure and dynamics of the Mammalian ribosomal pretranslocation complex.
Mol.Cell, 44, 2011
6JV9
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BU of 6jv9 by Molmil
Crystal Structure of Human CRMP2 1-532, unmodified
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Dihydropyrimidinase-related protein 2, ...
Authors:Jiang, X, Ogawa, T, Hirokawa, N.
Deposit date:2019-04-16
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Enhanced carbonyl stress induces irreversible multimerization of CRMP2 in schizophrenia pathogenesis.
Life Sci Alliance, 2, 2019
6U02
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BU of 6u02 by Molmil
CryoEM-derived model of NA-63 Fab in complex with N9 Shanghai2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab-63 Heavy Chain, Fab-63 Light Chain, ...
Authors:Ward, A.B, Turner, H.L, Zhu, X.
Deposit date:2019-08-13
Release date:2019-12-04
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural Basis of Protection against H7N9 Influenza Virus by Human Anti-N9 Neuraminidase Antibodies.
Cell Host Microbe, 26, 2019
4MSL
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BU of 4msl by Molmil
Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with AF40431
Descriptor: N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine, Sortilin, TETRAETHYLENE GLYCOL, ...
Authors:Andersen, J.L, Strandbygaard, D, Thirup, S.
Deposit date:2013-09-18
Release date:2014-02-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of the first small-molecule ligand of the neuronal receptor sortilin and structure determination of the receptor-ligand complex.
Acta Crystallogr.,Sect.D, 70, 2014
6NAK
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BU of 6nak by Molmil
BACTERIAL PROTEIN COMPLEX TM BDE complex
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, TsaE, ...
Authors:Stec, B.
Deposit date:2018-12-05
Release date:2023-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery of the Universal tRNA Binding Mode for the TsaD-like Components of the t6A tRNA Modification Pathway
Biophysica, 3, 2023
5T45
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BU of 5t45 by Molmil
Chicken smooth muscle myosin motor domain co-crystallized with the specific CK-571 inhibitor, MgADP.BeFx form
Descriptor: 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ...
Authors:Sirigu, S, Planelles-Herrero, V.J, Hartman, J, Houdusse, A.
Deposit date:2016-08-29
Release date:2016-11-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Highly selective inhibition of myosin motors provides the basis of potential therapeutic application.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
4ZEK
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BU of 4zek by Molmil
PBP AccA from A. tumefaciens C58 in complex with L-arabinose-2-isopropylphosphate
Descriptor: 1,2-ETHANEDIOL, 2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:El Sahili, A, Morera, S.
Deposit date:2015-04-20
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
6G78
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BU of 6g78 by Molmil
RSK4 N-terminal Kinase Domain S232E in complex with AMP-PNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6
Authors:Prischi, F, Ali, M.M.
Deposit date:2018-04-04
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer.
Sci Transl Med, 13, 2021
6G77
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BU of 6g77 by Molmil
RSK4 N-terminal Kinase Domain in complex with AMP-PNP
Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6, ZINC ION
Authors:Prischi, F, Ali, M.M.
Deposit date:2018-04-04
Release date:2019-04-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer.
Sci Transl Med, 13, 2021
3J0L
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BU of 3j0l by Molmil
Core of mammalian 80S pre-ribosome in complex with tRNAs fitted to a 9.8A cryo-EM map: classic PRE state 1
Descriptor: 40S ribosomal RNA fragment, 60S ribosomal RNA fragment, Ribosomal protein L10, ...
Authors:Budkevich, T, Giesebrecht, J, Altman, R, Munro, J, Mielke, T, Nierhaus, K, Blanchard, S, Spahn, C.M.
Deposit date:2011-10-04
Release date:2011-11-16
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite:Structure and dynamics of the Mammalian ribosomal pretranslocation complex.
Mol.Cell, 44, 2011
4ZEB
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BU of 4zeb by Molmil
PBP AccA from A. tumefaciens C58 in complex with agrocinopine A
Descriptor: 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ...
Authors:El Sahili, A, Morera, S.
Deposit date:2015-04-20
Release date:2015-08-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
4ZE9
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BU of 4ze9 by Molmil
Se-PBP AccA from A. tumefaciens C58 in complex with agrocinopine A
Descriptor: 2-O-phosphono-alpha-L-arabinopyranose, ABC transporter substrate-binding protein, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:El Sahili, A, Guimaraes, B.G, Morera, S.
Deposit date:2015-04-20
Release date:2015-08-19
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
4ZED
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BU of 4zed by Molmil
PBP AccA from A. tumefaciens C58 in complex with agrocinopine-3'-O-benzoate
Descriptor: 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ...
Authors:El Sahili, A, Morera, S.
Deposit date:2015-04-20
Release date:2015-08-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015

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數據於2024-07-17公開中

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