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7TC8
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BU of 7tc8 by Molmil
Cryo-EM structure of methane monooxygenase hydroxylase (by graphene)
Descriptor: FE (III) ION, Methane monooxygenase component A alpha chain, Methane monooxygenase component A beta chain, ...
Authors:Cho, U.S, Kim, B.C.
Deposit date:2021-12-23
Release date:2023-01-25
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Batch Production of High-Quality Graphene Grids for Cryo-EM: Cryo-EM Structure of Methylococcus capsulatus Soluble Methane Monooxygenase Hydroxylase.
Acs Nano, 17, 2023
8AHG
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BU of 8ahg by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
6UVU
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BU of 6uvu by Molmil
Crystal structure of the AntR antimony-specific transcriptional repressor
Descriptor: ArsR family transcriptional regulator
Authors:Thiruselvam, V, Banumathi, S, Palani, K, Manohar, R, Rosen, B.P.
Deposit date:2019-11-04
Release date:2020-11-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional and structural characterization of AntR, an Sb(III) responsive transcriptional repressor.
Mol.Microbiol., 116, 2021
8AHI
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BU of 8ahi by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
Descriptor: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-1,3-benzothiazole-6-carboxamide
Authors:Baker, L.M, Murray, J.B, Hubbard, R.E.
Deposit date:2022-07-21
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
6UW0
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BU of 6uw0 by Molmil
Engineered variant of I-OnuI meganuclease with improved thermostability and fully altered specificity targeting cholera toxin A subunit
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (27-MER), ...
Authors:Werther, R, Stoddard, B.L.
Deposit date:2019-11-04
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Optimization of Protein Thermostability and Exploitation of Recognition Behavior to Engineer Altered Protein-DNA Recognition.
Structure, 28, 2020
4XLR
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BU of 4xlr by Molmil
Crystal structure of T.aquaticus transcription initiation complex with CarD containing bubble promoter and RNA
Descriptor: CarD-like transcriptional regulator, DNA (48-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
8CZ8
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BU of 8cz8 by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
Descriptor: Mesothelin, cleaved form, SULFATE ION, ...
Authors:Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
Deposit date:2022-05-24
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
5LDA
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BU of 5lda by Molmil
Structure of deubiquitinating enzyme homolog (Pyrococcus furiosus JAMM1) in complex with ubiquitin-like SAMP2.
Descriptor: GLYCEROL, JAMM1, SAMP2, ...
Authors:Cao, S, Engilberge, S, Girard, E, Gabel, F, Franzetti, B, Maupin-Furlow, J.A.
Deposit date:2016-06-24
Release date:2017-06-21
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insight into Ubiquitin-Like Protein Recognition and Oligomeric States of JAMM/MPN(+) Proteases.
Structure, 25, 2017
8ZHE
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BU of 8zhe by Molmil
SARS-CoV-2 spike trimer (6P) in complex with three R1-26 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-26 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-10
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
4XOJ
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BU of 4xoj by Molmil
Structure of bovine trypsin in complex with analogues of sunflower inhibitor 1 (SFTI-1)
Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, CALCIUM ION, ...
Authors:Golik, P, Malicki, S, Grudnik, P, Karna, N, Debowski, D, Legowska, A, Wladyka, B, Gitlin, A, Brzozowski, K, Dubin, G, Rolka, K.
Deposit date:2015-01-16
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Investigation of Serine-Proteinase-Catalyzed Peptide Splicing in Analogues of Sunflower Trypsin Inhibitor 1 (SFTI-1).
Chembiochem, 16, 2015
8ZHH
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BU of 8zhh by Molmil
SARS-CoV-2 spike trimer (6P) in complex with two H18 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-10
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (5.55 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
7SZR
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BU of 7szr by Molmil
NIK bound to inhibitor G02792917
Descriptor: 1-(3-{[(1R,4R,5S)-4-hydroxy-2-methyl-3-oxo-2-azabicyclo[3.1.0]hexan-4-yl]ethynyl}phenyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Liau, N.P.D, Hymowitz, S.G.
Deposit date:2021-11-29
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Filling a nick in NIK: Extending the half-life of a NIK inhibitor through structure-based drug design.
Bioorg.Med.Chem.Lett., 89, 2023
8ZHM
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BU of 8zhm by Molmil
SARS-CoV-2 spike trimer (6P) in complex with three H18 and three R1-32 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-11
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
6STZ
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BU of 6stz by Molmil
Crystal structure of dimethylated RSLex - cucurbituril free form
Descriptor: Fucose-binding lectin protein, beta-D-fructopyranose
Authors:Guagnini, F, Engilberge, S, Crowley, P.B.
Deposit date:2019-09-12
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Engineered assembly of a protein-cucurbituril biohybrid.
Chem.Commun.(Camb.), 56, 2020
4XE9
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BU of 4xe9 by Molmil
Crystal structure of the NanB sialidase from Streptococcus pneumoniae in complex with Optactin
Descriptor: (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, DIMETHYL SULFOXIDE, Sialidase B
Authors:Brear, P.
Deposit date:2014-12-23
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To be published
4XES
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BU of 4xes by Molmil
Structure of active-like neurotensin receptor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Krumm, B.E, White, J.F, Shah, P, Grisshammer, R.
Deposit date:2014-12-24
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural prerequisites for G-protein activation by the neurotensin receptor.
Nat Commun, 6, 2015
5LMG
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BU of 5lmg by Molmil
Structure of C-terminal domain from S. cerevisiae Pat1 decapping activator bound to Dcp2 HLM10 peptide (region 954-970)
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA topoisomerase 2-associated protein PAT1, ...
Authors:Charenton, C, Gaudon-Plesse, C, Fourati, Z, Taverniti, V, Back, R, Kolesnikova, O, Seraphin, B, Graille, M.
Deposit date:2016-07-30
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A unique surface on Pat1 C-terminal domain directly interacts with Dcp2 decapping enzyme and Xrn1 5'-3' mRNA exonuclease in yeast.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8FCI
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BU of 8fci by Molmil
tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:Lavallee, T, Mehta, K, Young, A, Cortes, J, Isaacson, B, Brylewski, J, Schlegel, F, Doti, L, Battaile, K, Stojanoff, V, Perez, A, Bolen, R.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine
To Be Published
6VB3
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BU of 6vb3 by Molmil
HLA-B*15:01 complexed with a synthetic peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Schutte, R.J, Li, D, Ostrov, D.A.
Deposit date:2019-12-18
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:HLA-B*15:01 complexed with a synthetic peptide
To Be Published
4XLN
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BU of 4xln by Molmil
Crystal structure of T. aquaticus transcription initiation complex containing bubble promoter and RNA
Descriptor: DNA (48-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structure of a bacterial RNA polymerase holoenzyme open promoter complex.
Elife, 4, 2015
8FNX
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BU of 8fnx by Molmil
Crystal structure of Hyaluronate lyase B from Cutibacterium acnes
Descriptor: GLYCEROL, Hyaluronate lyase, PHOSPHATE ION
Authors:Katiki, M, McNally, R, Chatterjee, A, Hajam, I.A, Liu, G.Y, Murali, R.
Deposit date:2022-12-28
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional divergence of a bacterial enzyme promotes healthy or acneic skin.
Nat Commun, 14, 2023
6SZV
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BU of 6szv by Molmil
Bat Influenza A polymerase elongation complex with incoming UTP analogue (core + endonuclease only)
Descriptor: 3' vRNA, 5' vRNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ...
Authors:Wandzik, J.M, Kouba, T, Cusack, S.
Deposit date:2019-10-02
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Cell, 181, 2020
8FCH
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BU of 8fch by Molmil
Apo Structure of (N1G37) Methyltransferase from Mycobacterium avium
Descriptor: tRNA (guanine-N(1)-)-methyltransferase
Authors:Isaacson, B, Brylewski, J, Schlegel, F, Cortes, J, Lavallee, T, Mehta, K, Young, A, Doti, L, Battaile, K.P, Stojanoff, V, Perez, A, Bolen, R.
Deposit date:2022-12-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.956 Å)
Cite:Apo structure of (N1G37) Methyltransferase from Mycobacterium avium.
To Be Published
6VB2
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BU of 6vb2 by Molmil
HLA-B*15:02 complexed with a synthetic peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Schutte, R.J, Li, D, Ostrov, D.A.
Deposit date:2019-12-18
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:HLA-B*15:02 complexed with a synthetic peptide
To Be Published
8FHC
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BU of 8fhc by Molmil
Protein 41 with aldehyde deformylating oxidase activity from Gamma proteobacterium
Descriptor: BROMIDE ION, CHOLIC ACID, FE (III) ION, ...
Authors:Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Protein 41 with aldehyde deformylating oxidase activity from Gamma proteobacterium
To Be Published

224004

数据于2024-08-21公开中

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