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PDB: 89832 results

7LRA
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BU of 7lra by Molmil
Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Cu(II) (M1) and Ni(II) (M2)
Descriptor: HEME C, NICKEL (II) ION, Soluble cytochrome b562
Authors:Choi, T.S, Tezcan, F.A.
Deposit date:2021-02-16
Release date:2022-02-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Overcoming universal restrictions on metal selectivity by protein design.
Nature, 603, 2022
6I0T
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BU of 6i0t by Molmil
Crystal structure of DmTailor in complex with GpU
Descriptor: RNA (5'-R(*GP*U)-3'), Terminal uridylyltransferase Tailor
Authors:Kroupova, A, Ivascu, A, Jinek, M.
Deposit date:2018-10-26
Release date:2018-12-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for acceptor RNA substrate selectivity of the 3' terminal uridylyl transferase Tailor.
Nucleic Acids Res., 47, 2019
6NZP
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BU of 6nzp by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-11 AKA 6-CYCLOPROPANEAMIDO-4-{[2-METHOXY-3-(1-METHYL-1H-1,2,4-TRI AZOL-3-YL)PHENYL]AMINO}-N-(?H?)METHYLPYRIDAZINE-3-CARBOXAMIDE
Descriptor: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, CHLORIDE ION, Non-receptor tyrosine-protein kinase TYK2
Authors:Khan, J.A.
Deposit date:2019-02-14
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
1CVK
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BU of 1cvk by Molmil
T4 LYSOZYME MUTANT L118A
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME
Authors:Gassner, N.C, Baase, W.A, Lindstrom, J, Lu, J, Matthews, B.W.
Deposit date:1999-08-23
Release date:1999-11-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Methionine and alanine substitutions show that the formation of wild-type-like structure in the carboxy-terminal domain of T4 lysozyme is a rate-limiting step in folding.
Biochemistry, 38, 1999
7QG6
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BU of 7qg6 by Molmil
Co-crystal structure of UPF3A-RRM-NOPS-L with UPF2-MIF4GIII
Descriptor: CHLORIDE ION, Regulator of nonsense transcripts 2, Regulator of nonsense transcripts 3A, ...
Authors:Powers, K.T, Bufton, J.C, Szeto, J.A, Schaffitzel, C.
Deposit date:2021-12-07
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation.
Nucleic Acids Res., 50, 2022
7LRV
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BU of 7lrv by Molmil
Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Ni(II)
Descriptor: HEME C, NICKEL (II) ION, Soluble cytochrome b562
Authors:Choi, T.S, Tezcan, F.A.
Deposit date:2021-02-17
Release date:2022-02-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Overcoming universal restrictions on metal selectivity by protein design.
Nature, 603, 2022
6O3C
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BU of 6o3c by Molmil
Crystal structure of active Smoothened bound to SAG21k, cholesterol, and NbSmo8
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide, ...
Authors:Deshpande, I.S, Liang, J, Hedeen, D, Roberts, K.J, Zhang, Y, Ha, B, Latorraca, N.R, Faust, B, Dror, R.O, Beachy, P.A, Myers, B.R, Manglik, A.
Deposit date:2019-02-26
Release date:2019-07-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Smoothened stimulation by membrane sterols drives Hedgehog pathway activity.
Nature, 571, 2019
6Z2T
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BU of 6z2t by Molmil
Three-dimensional structure of an influenza hemagglutinin LAH protein in its post-fusion conformation
Descriptor: Hemagglutinin, PHOSPHATE ION
Authors:Kirsteina, A, Kazaks, A, Tars, K.
Deposit date:2020-05-18
Release date:2021-06-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Three-dimensional structure of an influenza hemagglutinin LAH protein
To Be Published
6KXF
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BU of 6kxf by Molmil
The ishigamide ketosynthase/chain length factor
Descriptor: ACP, Ketosynthase, [(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate
Authors:Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y.
Deposit date:2019-09-10
Release date:2020-05-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for selectivity in a highly reducing type II polyketide synthase.
Nat.Chem.Biol., 16, 2020
1EZK
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BU of 1ezk by Molmil
Crystal structure of recombinant tryparedoxin I
Descriptor: TRYPAREDOXIN I
Authors:Hofmann, B, Guerrero, S.A, Kalisz, H.M, Menge, U, Nogoceke, E, Montemartini, M, Singh, M, Flohe, L, Hecht, H.J.
Deposit date:2000-05-11
Release date:2000-05-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of tryparedoxins revealing interaction with trypanothione.
Biol.Chem., 382, 2001
5LH9
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BU of 5lh9 by Molmil
Amine transaminase crystal structure from an uncultivated Pseudomonas species in the PLP-bound (internal aldimine) form
Descriptor: OMEGA TRANSAMINASE, PYRIDOXAL-5'-PHOSPHATE
Authors:Reddem, E, Thunnissen, A.M.W.H.
Deposit date:2016-07-10
Release date:2017-03-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Explaining Operational Instability of Amine Transaminases: Substrate-Induced Inactivation Mechanism and Influence of Quaternary Structure on Enzyme-Cofactor Intermediate Stability.
Acs Catalysis, 7, 2017
1D4D
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BU of 1d4d by Molmil
CRYSTAL STRUCTURE OF THE SUCCINATE COMPLEXED FORM OF THE FLAVOCYTOCHROME C FUMARATE REDUCTASE OF SHEWANELLA PUTREFACIENS STRAIN MR-1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C FUMARATE REDUCTASE, HEME C, ...
Authors:Leys, D, Tsapin, A.S, Meyer, T.E, Cusanovich, M.A, Van Beeumen, J.J.
Deposit date:1999-10-03
Release date:1999-12-01
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and mechanism of the flavocytochrome c fumarate reductase of Shewanella putrefaciens MR-1.
Nat.Struct.Biol., 6, 1999
4XF4
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BU of 4xf4 by Molmil
Cysteine dioxygenase at pH 8.0 in complex with homocysteine
Descriptor: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3485 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
8FAT
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BU of 8fat by Molmil
Crystal structure of Ky224 Fab in complex with circumsporozoite protein NPDP peptide
Descriptor: Circumsporozoite protein NPDP peptide, Ky224 Antibody, heavy chain, ...
Authors:Kassardjian, A, Thai, E, Julien, J.P.
Deposit date:2022-11-28
Release date:2023-11-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Molecular determinants of cross-reactivity and potency by VH3-33 antibodies against the Plasmodium falciparum circumsporozoite protein.
Cell Rep, 42, 2023
4XFH
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BU of 4xfh by Molmil
cysteine dioxygenase variant - Y157F at pH 6.2 with cysteine
Descriptor: CYSTEINE, Cysteine dioxygenase type 1, FE (III) ION
Authors:Driggers, C.M, Karplus, P.A.
Deposit date:2014-12-26
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
J. Mol. Biol., 428, 2016
6NVZ
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BU of 6nvz by Molmil
NMR Structure of the DNA binding domain of EhMybS3
Descriptor: Myb family DNA-binding protein shaqkyf family
Authors:Titaux-Delgado, G.A, del Rio-Portilla, f.
Deposit date:2019-02-05
Release date:2020-02-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Genome-wide and structural analysis of the Myb-SHAQKYF family in Entamoeba histolytica.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
5LEG
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BU of 5leg by Molmil
Structure of the bacterial sex F pilus (pED208)
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, Pilin
Authors:Costa, T.R.D, Ilangovan, I, Ukleja, M, Redzej, A, Santini, J.M, Smith, T.K, Egelman, E.H, Waksman, G.
Deposit date:2016-06-29
Release date:2016-09-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of the Bacterial Sex F Pilus Reveals an Assembly of a Stoichiometric Protein-Phospholipid Complex.
Cell, 166, 2016
8PS2
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BU of 8ps2 by Molmil
Asymmetric unit of the yeast fatty acid synthase with ACP at the enoyl reductase domain (FASam sample)
Descriptor: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ...
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-13
Release date:2023-11-22
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PRV
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BU of 8prv by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosreductase domain (FASamn sample)
Descriptor: COENZYME A, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-12
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
7LRB
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BU of 7lrb by Molmil
Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in the presence of Ni(II) (M1) and Cu(II) (M2)
Descriptor: COBALT (II) ION, HEME C, Soluble cytochrome b562
Authors:Choi, T.S, Tezcan, F.A.
Deposit date:2021-02-16
Release date:2022-02-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Overcoming universal restrictions on metal selectivity by protein design.
Nature, 603, 2022
3R8P
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BU of 3r8p by Molmil
CDK2 in complex with inhibitor NSK-MC1-6
Descriptor: (5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide, Cyclin-dependent kinase 2
Authors:Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E.
Deposit date:2011-03-24
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening
To be Published
8CXE
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BU of 8cxe by Molmil
Crystal Structure of EcDsbA in a complex with 1H-imidazole
Descriptor: IMIDAZOLE, Thiol:disulfide interchange protein DsbA
Authors:Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J.
Deposit date:2022-05-20
Release date:2022-12-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
1D8M
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BU of 1d8m by Molmil
CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR
Descriptor: 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, STROMELYSIN-1 PRECURSOR, ...
Authors:Pikul, S, Dunham, K.M, Almstead, N.G, De, B, Natchus, M.G, Taiwo, Y.O, Williams, L.E, Hynd, B.A, Hsieh, L.C, Janusz, M.J, Gu, F, Mieling, G.E.
Deposit date:1999-10-25
Release date:2000-10-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Heterocycle-based MMP inhibitors with P2' substituents.
Bioorg.Med.Chem.Lett., 11, 2001
8PRW
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BU of 8prw by Molmil
Cryo-EM structure of the yeast fatty acid synthase at 1.9 angstrom resolution
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, COENZYME A, Fatty acid synthase subunit alpha, ...
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-12
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
6HQA
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BU of 6hqa by Molmil
Molecular structure of promoter-bound yeast TFIID
Descriptor: Histone-fold, Subunit (17 kDa) of TFIID and SAGA complexes, involved in RNA polymerase II transcription initiation, ...
Authors:Kolesnikova, O, Ben-Shem, A, Luo, J, Ranish, J, Schultz, P, Papai, G.
Deposit date:2018-09-24
Release date:2018-11-21
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:Molecular structure of promoter-bound yeast TFIID.
Nat Commun, 9, 2018

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