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PDB: 53012 results

6WHB
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BU of 6whb by Molmil
MEKK1 TOG domain (548-867)
Descriptor: ACETATE ION, GLYCEROL, Mitogen-activated protein kinase kinase kinase 1
Authors:Filipcik, P, Mace, P.D.
Deposit date:2020-04-07
Release date:2020-08-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.90032053 Å)
Cite:A cryptic tubulin-binding domain links MEKK1 to curved tubulin protomers.
Proc.Natl.Acad.Sci.USA, 117, 2020
6CWE
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BU of 6cwe by Molmil
Structure of alpha-GSA[8,6P] bound by CD1d and in complex with the Va14Vb8.2 TCR
Descriptor: (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(6-phenylhexyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, J, Zajonc, D.
Deposit date:2018-03-30
Release date:2019-04-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Glycolipid recognition by iNKT cells
To Be Published
5AKF
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BU of 5akf by Molmil
THE CRYSTAL STRUCTURE OF I-DMOI Q42AK120M IN COMPLEX WITH ITS TARGET DNA NICKED IN THE CODING STRAND A AND IN THE PRESENCE OF 2MM MN
Descriptor: 25MER, 5'-D(*GP*CP*CP*TP*TP*GP*CP*CP*GP*GP*GP*TP*AP*AP)-3', 5'-D(*GP*TP*TP*CP*CP*GP*GP*CP*GP*CP*GP)-3', ...
Authors:Molina, R, Marcaida, M.J, Redondo, P, Marenchino, M, D'Abramo, M, Montoya, G, Prieto, J.
Deposit date:2015-03-03
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold.
J.Biol.Chem., 290, 2015
8U30
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BU of 8u30 by Molmil
TRPV1 in nanodisc bound with diC8-PIP2 in the closed state
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 1, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-06
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
8FCN
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BU of 8fcn by Molmil
Cryo-EM structure of p97:UBXD1 VIM-only state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase, UBX domain-containing protein 6
Authors:Braxton, J.R, Tucker, M.R, Tse, E, Southworth, D.R.
Deposit date:2022-12-01
Release date:2023-06-21
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:The p97/VCP adaptor UBXD1 drives AAA+ remodeling and ring opening through multi-domain tethered interactions.
Nat.Struct.Mol.Biol., 30, 2023
8CSY
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BU of 8csy by Molmil
Local refinement of cytoplasmic domains of band3-I in class 2 of erythrocyte ankyrin-1 complex
Descriptor: Band 3 anion transport protein
Authors:Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
Deposit date:2022-05-13
Release date:2022-07-20
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
6VMD
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BU of 6vmd by Molmil
Chloroplast ATP synthase (C1, CF1)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ...
Authors:Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L.
Deposit date:2020-01-27
Release date:2020-09-09
Last modified:2020-09-16
Method:ELECTRON MICROSCOPY (4.53 Å)
Cite:Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
7OA7
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BU of 7oa7 by Molmil
PilC minor pilin of Streptococcus sanguinis 2908 type IV pili
Descriptor: CALCIUM ION, PilC minor pilin, SODIUM ION
Authors:Sheppard, D, Pelicic, V.
Deposit date:2021-04-19
Release date:2022-05-04
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Characterization of a glycan-binding complex of minor pilins completes the analysis of Streptococcus sanguinis type 4 pili subunits.
Proc.Natl.Acad.Sci.USA, 120, 2023
6VOO
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BU of 6voo by Molmil
Chloroplast ATP synthase (R1, CF1)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ...
Authors:Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L.
Deposit date:2020-01-30
Release date:2020-09-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
6GRC
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BU of 6grc by Molmil
eukaryotic junction-resolving enzyme GEN-1 binding with Sodium
Descriptor: DNA (5'-D(*TP*AP*CP*CP*CP*AP*CP*CP*AP*CP*CP*GP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)-3'), MAGNESIUM ION, ...
Authors:Lilley, D.M.J, Liu, Y, Freeman, D.J.
Deposit date:2018-06-11
Release date:2018-09-26
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:A monovalent ion in the DNA binding interface of the eukaryotic junction-resolving enzyme GEN1.
Nucleic Acids Res., 46, 2018
8U2Z
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BU of 8u2z by Molmil
TRPV1 in nanodisc bound with diC8-PIP2 in the dilated state
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, SODIUM ION, ...
Authors:Arnold, W.R, Julius, D, Cheng, Y.
Deposit date:2023-09-06
Release date:2024-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of TRPV1 modulation by endogenous bioactive lipids.
Nat.Struct.Mol.Biol., 2024
6VJJ
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BU of 6vjj by Molmil
Crystal Structure of wild-type KRAS4b (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Tran, T.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-01-16
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:KRAS interaction with RAF1 RAS-binding domain and cysteine-rich domain provides insights into RAS-mediated RAF activation.
Nat Commun, 12, 2021
6WNX
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BU of 6wnx by Molmil
FBXW11-SKP1 in complex with a pSer33/pSer37 Beta-Catenin peptide
Descriptor: Catenin beta-1, F-box/WD repeat-containing protein 11, GLYCEROL, ...
Authors:Ivanochko, D, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Boettcher, J, Structural Genomics Consortium (SGC)
Deposit date:2020-04-23
Release date:2020-05-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:FBXW11-SKP1 in complex with a pSer33/pSer37 Beta-Catenin peptide
To Be Published
6VLM
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BU of 6vlm by Molmil
Core Catalytic Domain of HIV Integrase in complex with virtual screening hit
Descriptor: Integrase, [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
Authors:Klein, D.J, Sanders, J.M.
Deposit date:2020-01-24
Release date:2020-05-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
6VMG
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BU of 6vmg by Molmil
Chloroplast ATP synthase (O3, CF1FO)
Descriptor: ATP synthase delta chain, chloroplastic, ATP synthase epsilon chain, ...
Authors:Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L.
Deposit date:2020-01-27
Release date:2020-09-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.46 Å)
Cite:Structural basis of redox modulation on chloroplast ATP synthase.
Commun Biol, 3, 2020
5UQY
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BU of 5uqy by Molmil
Crystal structure of Marburg virus GP in complex with the human survivor antibody MR78
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP1, ...
Authors:Hashiguchi, T, Fusco, M.L, Hastie, K.M, Bomholdt, Z.A, Lee, J.E, Flyak, A.I, Matsuoka, R, Kohda, D, Yanagi, Y, Hammel, M, Crowe, J.E, Saphire, E.O.
Deposit date:2017-02-08
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural basis for Marburg virus neutralization by a cross-reactive human antibody.
Cell, 160, 2015
6Q3Z
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BU of 6q3z by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k
Descriptor: (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-04
Release date:2019-03-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.
J.Med.Chem., 62, 2019
4Y52
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BU of 4y52 by Molmil
Crystal structure of 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation.
Descriptor: DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Wang, L, Chong, J, Wang, D.
Deposit date:2015-02-11
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
6WQZ
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BU of 6wqz by Molmil
Structure of human ATG9A, the only transmembrane protein of the core autophagy machinery
Descriptor: Autophagy-related protein 9A, Lauryl Maltose Neopentyl Glycol
Authors:Guardia, C.M, Tan, X, Lian, T, Rana, M.S, Zhou, W, Christenson, E.T, Lowry, A.J, Faraldo-Gomez, J.D, Bonifacino, J.S, Jiang, J, Banerjee, A.
Deposit date:2020-04-29
Release date:2020-07-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of Human ATG9A, the Only Transmembrane Protein of the Core Autophagy Machinery.
Cell Rep, 31, 2020
6WA8
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BU of 6wa8 by Molmil
Crystal structure of the E. coli transcription termination factor Rho
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Transcription termination factor Rho
Authors:Fan, C, Rees, D.C.
Deposit date:2020-03-24
Release date:2020-09-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the Escherichia coli transcription termination factor Rho.
Acta Crystallogr.,Sect.F, 76, 2020
5UTY
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BU of 5uty by Molmil
Crystal Structure of a Stabilized DS-SOSIP.mut4 BG505 gp140 HIV-1 Env Trimer, Containing Mutations I201C-P433C (DS), L154M, N300M, N302M, T320L in Complex with Human Antibodies PGT122 and 35O22 at 4.1 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab heavy chain, ...
Authors:Xu, K, Chuang, G.-Y, Pancera, M, Kwong, P.D.
Deposit date:2017-02-15
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.412 Å)
Cite:Structure-Based Design of a Soluble Prefusion-Closed HIV-1 Env Trimer with Reduced CD4 Affinity and Improved Immunogenicity.
J. Virol., 91, 2017
6SWX
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BU of 6swx by Molmil
Leishmania major methionyl-tRNA synthetase in complex with an allosteric inhibitor
Descriptor: METHIONINE, Putative methionyl-tRNA synthetase, methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate
Authors:Robinson, D.A, Torrie, L.S, Shepherd, S.M, De Rycker, M, Thomas, M.G, Wyatt, P.G.
Deposit date:2019-09-24
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of an Allosteric Binding Site in Kinetoplastid Methionyl-tRNA Synthetase.
Acs Infect Dis., 6, 2020
7ZXA
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BU of 7zxa by Molmil
Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D)
Descriptor: 1,2-ETHANEDIOL, 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:2022-05-20
Release date:2023-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
5KAG
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BU of 5kag by Molmil
Crystal structure of a dioxygenase in the Crotonase superfamily in P21
Descriptor: (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, OXYGEN MOLECULE, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE
Authors:Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D.
Deposit date:2016-06-01
Release date:2017-06-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.456 Å)
Cite:Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase.
Acta Crystallogr D Struct Biol, 73, 2017
7KJN
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BU of 7kjn by Molmil
CRYSTAL STRUCTURE OF HUMAN MDMX IN COMPLEX WITH D-PEPTIDE INHIBITOR (DPMI-OMEGA)
Descriptor: D-PMI-omega, Protein Mdm4
Authors:Tolbert, W.D, Pazgier, M.
Deposit date:2020-10-26
Release date:2021-11-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:CRYSTAL STRUCTURE OF HUMAN MDMX IN COMPLEX WITH D-PEPTIDE INHIBITOR (DPMI-OMEGA)
To Be Published

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