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PDB: 88675 results

6YOT
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BU of 6yot by Molmil
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with N,N-dimethylisoquinoline-5-sulfonamide and PKI (5-24)
Descriptor: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N},~{N}-dimethylisoquinoline-5-sulfonamide
Authors:Oebbeke, M, Heine, A, Klebe, G.
Deposit date:2020-04-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
7M5B
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BU of 7m5b by Molmil
Crystal Structure of human BAK in complex with M3W5_BID
Descriptor: BH3-interacting domain death agonist p15, Bcl-2 homologous antagonist/killer, COPPER (II) ION
Authors:Singh, G, Aggarwal, A, Moldoveanu, T.
Deposit date:2021-03-23
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis of BAK activation in mitochondrial apoptosis initiation.
Nat Commun, 13, 2022
8D8S
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BU of 8d8s by Molmil
SufS from Staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, Cysteine desulfurase
Authors:Morrison, C.N, Boncella, A.E, Lunin, V.
Deposit date:2022-06-08
Release date:2022-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.388 Å)
Cite:Structural and Biochemical Characterization of Staphylococcus aureus Cysteine Desulfurase Complex SufSU.
Acs Omega, 7, 2022
7MFZ
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BU of 7mfz by Molmil
The Crystal Structure of Domain-Swapped Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F Mutant of HCRBPII Bound with LizFluor3 Chromophore Showing Excited State Intermolecular Proton Transfer
Descriptor: 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine, ACETATE ION, GLYCEROL, ...
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2021-04-12
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021
8I0Q
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BU of 8i0q by Molmil
Structure of beta-arrestin1 in complex with a phosphopeptide corresponding to the human C-X-C chemokine receptor type 4, CXCR4 (Local refine)
Descriptor: Beta-arrestin-1, C-X-C chemokine receptor type 4, Fab30 Heavy Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2023-01-11
Release date:2023-05-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.45 Å)
Cite:Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation.
Mol.Cell, 83, 2023
8I10
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BU of 8i10 by Molmil
Structure of beta-arrestin2 in complex with a phosphopeptide corresponding to the human Vasopressin V2 receptor, V2R (Local refine)
Descriptor: Beta-arrestin-2, Fab30 Heavy Chain, Fab30 Light Chain, ...
Authors:Maharana, J, Sarma, P, Yadav, M.K, Banerjee, R, Shukla, A.K.
Deposit date:2023-01-12
Release date:2023-05-17
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structural snapshots uncover a key phosphorylation motif in GPCRs driving beta-arrestin activation.
Mol.Cell, 83, 2023
7QSZ
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BU of 7qsz by Molmil
Non-obligately L8S8-complex forming RubisCO derived from ancestral sequence reconstruction and rational engineering in L8 complex with substitution e170N
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, RubisCO large subunit
Authors:Zarzycki, J, Schulz, L, Erb, T.J, Hochberg, G.K.A.
Deposit date:2022-01-14
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Evolution of increased complexity and specificity at the dawn of form I Rubiscos.
Science, 378, 2022
7BAF
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BU of 7baf by Molmil
Crystal structure of PAFB in complex with zinc
Descriptor: ACETATE ION, Antifungal protein, ZINC ION
Authors:Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B.
Deposit date:2020-12-15
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.123 Å)
Cite:Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene.
J.Struct.Biol., 213, 2021
8A5B
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BU of 8a5b by Molmil
Crystal structure of human cathepsin L in complex with covalently bound MG-101
Descriptor: Calpain Inhibitor I, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-06-14
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
7MFX
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BU of 7mfx by Molmil
The Crystal Structure of Q108K:K40H:T53A:R58L:Q38F:Q4F Mutant of HCRBPII Bound with FR1 Chromophore Showing Excited State Intermolecular Proton Transfer
Descriptor: (4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine, GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2021-04-11
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021
7SVX
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BU of 7svx by Molmil
Structure of EmrE-D3 mutant in complex with monobody L10 and harmane
Descriptor: 1-methyl-9H-pyrido[3,4-b]indole, L10 monobody, Multidrug transporter EmrE
Authors:Kermani, A.A, Stockbridge, R.B.
Deposit date:2021-11-19
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Elife, 11, 2022
6NFX
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BU of 6nfx by Molmil
MBTD1 MBT repeats
Descriptor: GLYCEROL, MBT domain-containing protein 1,Enhancer of polycomb homolog 1, SODIUM ION, ...
Authors:Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-12-21
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Basis for EPC1-Mediated Recruitment of MBTD1 into the NuA4/TIP60 Acetyltransferase Complex.
Cell Rep, 30, 2020
7SV9
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BU of 7sv9 by Molmil
Structure of EmrE-D3 mutant in complex with monobody L10 and TPP
Descriptor: L10 monobody, Multidrug transporter EmrE, TETRAPHENYLPHOSPHONIUM
Authors:Kermani, A.A, Stockbridge, R.B.
Deposit date:2021-11-18
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Elife, 11, 2022
7T00
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BU of 7t00 by Molmil
Structure of EmrE-D3 mutant in complex with monobody L10 and benzyltrimethylammonium
Descriptor: L10 monobody, Multidrug transporter EmrE, benzyltrimethylammonium
Authors:Kermani, A.A, Stockbridge, R.B.
Deposit date:2021-11-29
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.91 Å)
Cite:Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Elife, 11, 2022
5J6Q
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BU of 5j6q by Molmil
Cwp8 from Clostridium difficile
Descriptor: CHLORIDE ION, Cell wall binding protein cwp8, SULFATE ION
Authors:Renko, M, Usenik, A, Turk, D.
Deposit date:2016-04-05
Release date:2017-02-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The CWB2 Cell Wall-Anchoring Module Is Revealed by the Crystal Structures of the Clostridium difficile Cell Wall Proteins Cwp8 and Cwp6.
Structure, 25, 2017
6PTL
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BU of 6ptl by Molmil
Structure of the self-association domain of the chromatin looping factor LDB1
Descriptor: LIM domain-binding protein 1
Authors:Macindoe, I, Silva, A, Guss, J.M, Mackay, J.P, Matthews, J.M.
Deposit date:2019-07-16
Release date:2020-07-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the self-association domain of the chromatin looping factor LDB1
To Be Published
6FI0
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BU of 6fi0 by Molmil
Crystal structure of BAZ2A PHD zinc finger in complex with Fr 19
Descriptor: 2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ...
Authors:Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A.
Deposit date:2018-01-16
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
6Y1I
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BU of 6y1i by Molmil
Human Eg5 motor domain mutant R234C
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION
Authors:Garcia-Saez, I, Skoufias, D.A.
Deposit date:2020-02-12
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human Eg5 motor domain mutant R234C
To Be Published
6Y0L
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BU of 6y0l by Molmil
Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N, R253G, S254G mutant
Descriptor: GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor membrane-bound form, SULFATE ION
Authors:Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M.
Deposit date:2020-02-09
Release date:2021-06-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23.
Febs Open Bio, 11, 2021
4WRW
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BU of 4wrw by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form IV
Descriptor: CHLORIDE ION, GLYCEROL, Uracil-DNA glycosylase
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
6FJ8
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BU of 6fj8 by Molmil
Structure of Thaumatin collected from an in situ crystal collected on ID30B at 12.7 keV.
Descriptor: L(+)-TARTARIC ACID, Thaumatin-1
Authors:McCarthy, A.A, Mueller-Dieckmann, C.
Deposit date:2018-01-21
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF.
J Synchrotron Radiat, 25, 2018
4WS1
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BU of 4ws1 by Molmil
Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (AB), Form II
Descriptor: 1,2-ETHANEDIOL, 5-FLUOROURACIL, CHLORIDE ION, ...
Authors:Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M.
Deposit date:2014-10-25
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
7SSU
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BU of 7ssu by Molmil
Structure of EmrE-D3 mutant in complex with monobody L10 and methyltriphenylphosphonium
Descriptor: L10 monobody, Multidrug transporter EmrE, methyltriphenylphosphonium
Authors:Kermani, A.A, Stockbridge, R.B.
Deposit date:2021-11-11
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Elife, 11, 2022
4WQC
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BU of 4wqc by Molmil
Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - K208N mutant
Descriptor: 1,2-ETHANEDIOL, HEME C, SULFATE ION, ...
Authors:Brito, J.A, Denkmann, K, Pereira, I.A.C, Dahl, C, Archer, M.
Deposit date:2014-10-21
Release date:2015-02-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION.
J.Biol.Chem., 290, 2015
7MP3
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BU of 7mp3 by Molmil
Grb7-SH2 domain in complex with bicyclic peptide B8
Descriptor: Growth factor receptor-bound protein 7, bicyclic peptide B8
Authors:Colson, R, Wilce, M.C.J, Wilce, J.A.
Deposit date:2021-05-04
Release date:2022-02-02
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Enhancing the Bioactivity of Bicyclic Peptides Targeted to Grb7-SH2 by Restoring Cell Permeability.
Biomedicines, 10, 2022

223166

数据于2024-07-31公开中

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