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PDB: 89035 results

7ZOT
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BU of 7zot by Molmil
crystal structure of PLAAT4 N-terminal domain
Descriptor: DI(HYDROXYETHYL)ETHER, Phospholipase A and acyltransferase 4
Authors:von Castelmur, E, Perrakis, A, Cornaciu, I.
Deposit date:2022-04-26
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.735 Å)
Cite:Crystal structure of the phospholipase A and acyltransferase 4 (PLAAT4) catalytic domain.
J.Struct.Biol., 214, 2022
6VM7
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BU of 6vm7 by Molmil
SILv44 T cell receptor bound to HLA-A2 presenting gp100 peptide (ITDQVPFSV)
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Smith, A.R, Baker, B.M.
Deposit date:2020-01-27
Release date:2021-01-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structurally silent peptide anchor modifications allosterically modulate T cell recognition in a receptor-dependent manner
Proc.Natl.Acad.Sci.USA, 118, 2021
8PU3
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BU of 8pu3 by Molmil
Complex of the toxin/antitoxin FaRel2/ATfaRel2
Descriptor: ATfaRel2, FaRel2
Authors:Garcia-Pino, A, Talavera Perez, A, Dominguez Molina, L.
Deposit date:2023-07-16
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of the toxin/antitoxin complex FaRel2/ATfaRel2
To Be Published
5FZF
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BU of 5fzf by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with MC3962
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Rotili, D, Mai, A, Oppermann, U.
Deposit date:2016-03-14
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Mc3962
To be Published
8DF8
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BU of 8df8 by Molmil
Structure of M. kandleri topoisomerase V in complex with DNA. 40 base pair symmetric DNA complex
Descriptor: DNA (42-MER), PHOSPHATE ION, PHOSPHITE ION, ...
Authors:Osterman, A, Mondragon, A.
Deposit date:2022-06-21
Release date:2022-08-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structures of topoisomerase V in complex with DNA reveal unusual DNA binding mode and novel relaxation mechanism.
Elife, 11, 2022
8U1S
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BU of 8u1s by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-393 heavy chain, ...
Authors:Ferguson, J.A, Raghavan, S.S.R, Ward, A.B.
Deposit date:2023-09-02
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
6VO5
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BU of 6vo5 by Molmil
Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4
Descriptor: ACETATE ION, GLYCEROL, Histone H4, ...
Authors:Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2020-01-30
Release date:2020-03-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4
to be published
8DEN
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BU of 8den by Molmil
Heme-Free Cytochrome Variant ApoCyt
Descriptor: Soluble cytochrome b562
Authors:Hoffnagle, A.H, Eng, V.H, Tezcan, F.A.
Deposit date:2022-06-20
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Computationally Guided Redesign of a Heme-free Cytochrome with Native-like Structure and Stability.
Biochemistry, 61, 2022
6VOP
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BU of 6vop by Molmil
Crystal structure of YgbL, a putative aldolase/epimerase/decarboxylase from Escherichia coli
Descriptor: Aldolase
Authors:Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-01-31
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of YgbL, a putative aldolase/epimerase/decarboxylase from Escherichia coli
To Be Published
6F32
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BU of 6f32 by Molmil
Crystal structure of a dual function amine oxidase/cyclase in complex with substrate analogues
Descriptor: (2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide, ACETATE ION, Amine oxidase LkcE, ...
Authors:Dorival, J, Risser, F, Jacob, C, Collin, S, Drager, G, Kirschning, A, Paris, C, Chagot, B, Gruez, A, Weissman, K.J.
Deposit date:2017-11-27
Release date:2018-09-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis.
Nat Commun, 9, 2018
7BS7
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BU of 7bs7 by Molmil
Bovine Pancreatic Trypsin with aniline (Cryo)
Descriptor: ANILINE, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
6FBD
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BU of 6fbd by Molmil
KlenTaq DNA polymerase processing a modified primer - bearing the modification upstream at the second primer nucleotide.
Descriptor: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*AP*(OH3)P*C)-3'), DNA (5'-D(P*AP*AP*AP*CP*GP*GP*TP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3'), ...
Authors:Kropp, H.M, Diederichs, K, Marx, A.
Deposit date:2017-12-19
Release date:2018-09-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Snapshots of a modified nucleotide moving through the confines of a DNA polymerase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6T0M
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BU of 6t0m by Molmil
Cationic Trypsin in Complex with a D-Phe-Pro-diaminopyridine derivative
Descriptor: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
Authors:Ngo, K, Heine, A, Klebe, G.
Deposit date:2019-10-03
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
4YQY
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BU of 4yqy by Molmil
Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028) (TARGET EFI-513936) in its APO form
Descriptor: MAGNESIUM ION, Putative Dehydrogenase
Authors:Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2015-03-13
Release date:2015-03-25
Method:X-RAY DIFFRACTION (1.381 Å)
Cite:Crystal Structure of a putative Dehydrogenase from Sulfitobacter sp. (COG1028, TARGET EFI-513936) in its APO form
To be published
8D8N
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BU of 8d8n by Molmil
gRAMP non-match PFS target RNA
Descriptor: RAMP superfamily protein, RNA (35-MER), RNA (5'-R(P*UP*CP*CP*GP*GP*GP*GP*CP*AP*GP*AP*AP*AP*AP*UP*UP*GP*GP*AP*CP*A)-3'), ...
Authors:Hu, C, Nam, K.H, Schuler, G, Ke, A.
Deposit date:2022-06-08
Release date:2022-08-31
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Craspase is a CRISPR RNA-guided, RNA-activated protease.
Science, 377, 2022
7BTH
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BU of 7bth by Molmil
Mevo lectin- Native form-1
Descriptor: GLYCEROL, lectin
Authors:Sivaji, N, Suguna, K, Surolia, A, Vijayan, M.
Deposit date:2020-04-01
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and related studies on Mevo lectin from Methanococcus voltae A3: the first thorough characterization of an archeal lectin and its interactions.
Glycobiology, 31, 2021
8DFB
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BU of 8dfb by Molmil
Structure of M. kandleri topoisomerase V in complex with DNA. 39 base pair symmetric DNA complex
Descriptor: DNA (40-MER), POTASSIUM ION, Topoisomerase V
Authors:Osterman, A, Mondragon, A.
Deposit date:2022-06-21
Release date:2022-08-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Structures of topoisomerase V in complex with DNA reveal unusual DNA binding mode and novel relaxation mechanism.
Elife, 11, 2022
8U1Q
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BU of 8u1q by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-2D10 heavy chain, ...
Authors:Ferguson, J.A, Oeverdieck, S, Ward, A.B.
Deposit date:2023-09-01
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
5MT4
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BU of 5mt4 by Molmil
COMPLEMENT FACTOR D IN COMPLEX WITH A REVERSIBLE BENZOIC ACID BASED INHIBITOR
Descriptor: 2-[(phenylmethyl)carbamoylamino]benzoic acid, Complement factor D
Authors:Mac Sweeney, A, Ostermann, N.
Deposit date:2017-01-06
Release date:2017-02-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors.
J. Med. Chem., 60, 2017
6F4D
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BU of 6f4d by Molmil
Structure of the Y21F variant of quinolinate synthase in complex with PGH
Descriptor: CHLORIDE ION, IRON/SULFUR CLUSTER, PHOSPHATE ION, ...
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2017-11-29
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
8D41
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BU of 8d41 by Molmil
Crystal structure of the human COPB2 WD-domain in complex with OICR-6254
Descriptor: (1R,2R,3S,4S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid, Coatomer subunit beta', GLYCEROL, ...
Authors:Zeng, H, Saraon, P, Dong, A, Hutchinson, A, Seitova, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-06-01
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the human COPB2 WD-domain in complex with OICR-6254
To Be Published
5MYG
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BU of 5myg by Molmil
Crystal structure of the bromodomain of human BRPF1 in complex with NI-57 chemical probe
Descriptor: 4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide, Peregrin
Authors:Tallant, C, Igoe, N, Bayle, E.D, Krojer, T, Nunez-Alonso, G, Kopec, J, Fitzpatrick, F, Savitsky, P, Fedorov, O, Brennan, P.E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Fish, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-01-26
Release date:2017-08-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins.
J. Med. Chem., 60, 2017
8DKV
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BU of 8dkv by Molmil
PPARg bound to JTP-426467 and Co-R peptide
Descriptor: 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1, ...
Authors:Larsen, N.A.
Deposit date:2022-07-06
Release date:2022-09-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
7Q9N
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BU of 7q9n by Molmil
Transthyretin complexed with (E)-4-(2-(naphthalen-2-yl)vinyl)benzene-1,2-diol
Descriptor: 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol, Transthyretin
Authors:Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
Deposit date:2021-11-12
Release date:2022-11-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
7NTM
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BU of 7ntm by Molmil
Cryo-EM structure of S.cerevisiae native alcohol dehydrogenase 1 (ADH1) in its tetrameric apo state
Descriptor: Alcohol dehydrogenase 1, ZINC ION
Authors:Nzigou Mandouckou, J.A, Carroni, M, Haeggstrom, J.Z, Thulasingam, M.
Deposit date:2021-03-10
Release date:2022-10-12
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Cryo-EM structure of S.cerevisiae native alcohol dehydrogenase 1 (ADH1) in its tetrameric apo state
To Be Published

224572

數據於2024-09-04公開中

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