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8VWN
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BU of 8vwn by Molmil
Crystal structure of Vibrio cholerae NFeoB in the GDP-bound form
Descriptor: Ferrous iron transport protein B, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Lee, M, Smith, A.T.
Deposit date:2024-02-01
Release date:2024-10-30
Method:X-RAY DIFFRACTION (4.25 Å)
Cite:Structural determinants of Vibrio cholerae FeoB nucleotide promiscuity.
J.Biol.Chem., 300, 2024
5IGW
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BU of 5igw by Molmil
Macrolide 2'-phosphotransferase type II - complex with GDP and clarithromycin
Descriptor: CLARITHROMYCIN, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Berghuis, A.M, Fong, D.H.
Deposit date:2016-02-28
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
6VJU
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BU of 6vju by Molmil
Crystal Structure of Cystathionine beta synthase from Legionella pneumophila with LLP, PLP, and homocysteine
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-4-MERCAPTO-BUTYRIC ACID, ACETATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-01-17
Release date:2020-02-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Cystathionine beta synthase from Legionella pneumophila with LLP, PLP, and homocysteine
to be published
5IH6
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BU of 5ih6 by Molmil
Human Casein Kinase 1 isoform delta (kinase domain) in complex with Epiblastin A derivative
Descriptor: 6-(3-bromophenyl)pteridine-2,4,7-triamine, Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, ...
Authors:Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H.
Deposit date:2016-02-29
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1.
Cell Chem Biol, 23, 2016
8W0P
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BU of 8w0p by Molmil
BsaXI -- Type IIB R-M system
Descriptor: RM.BsaXI, S-ADENOSYLMETHIONINE, S.BsaXI
Authors:Shen, B.W, Stoddard, B.L.
Deposit date:2024-02-13
Release date:2024-10-30
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Atomic insights into the mechanism of DNA recognition and methylation by type IIB restriction-modification system: CryoEM structures of DNA free and cognate DNA bound BsaXI.
To Be Published
5VKY
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BU of 5vky by Molmil
Yeast Tda2 (YER071C) - a dynein light chain family member that works independently of the dynein motor complex and microtubules.
Descriptor: Topoisomerase I damage affected protein 2
Authors:McDonald, S.M, Di Pietro, S.M, Peersen, O.B.
Deposit date:2017-04-24
Release date:2017-07-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel function of a dynein light chain in actin assembly during clathrin-mediated endocytosis.
J. Cell Biol., 216, 2017
8VGK
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BU of 8vgk by Molmil
CryoEM structure of tryptase in complex with engineered conformationally rigid anti-tryptase Fab E104.v1.6DS
Descriptor: Fab E104.v1.6DS light chain, Tryptase alpha/beta-1
Authors:Kung, J.E, Johnson, M.C, Sudhamsu, J.
Deposit date:2023-12-27
Release date:2024-10-30
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Disulfi de constrained Fabs overcome target size limitation for high-resolution single-particle cryo-EM.
Biorxiv, 2024
7LVJ
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BU of 7lvj by Molmil
CASP8 isoform G DED domain
Descriptor: Isoform 9 of Caspase-8
Authors:Weichert, K, Lu, F, Kodandapani, L, Sauder, J.M.
Deposit date:2021-02-25
Release date:2022-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caspase-8 Variant G Regulates Rheumatoid Arthritis Fibroblast-Like Synoviocyte Aggressive Behavior.
ACR Open Rheumatol, 4, 2022
5I86
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BU of 5i86 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174
Descriptor: (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
Authors:Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
Deposit date:2016-02-18
Release date:2016-04-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
8VWV
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BU of 8vwv by Molmil
OGG1 bound to a nucleosome containing 8oxoG at SHL4 (composite map)
Descriptor: 601 I strand (damaged strand), 601 J strand (non-damaged), Histone H2A type 1, ...
Authors:Weaver, T.M, Ling, J.A, Freudenthal, B.D.
Deposit date:2024-02-02
Release date:2024-10-30
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Contributing factors to the oxidation-induced mutational landscape in human cells.
Nat Commun, 15, 2024
7LVM
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BU of 7lvm by Molmil
CASP8 isoform B DED domain
Descriptor: Caspase-8
Authors:Weichert, K, Lu, F, Kodandapani, L, Sauder, J.M.
Deposit date:2021-02-25
Release date:2022-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Caspase-8 Variant G Regulates Rheumatoid Arthritis Fibroblast-Like Synoviocyte Aggressive Behavior.
ACR Open Rheumatol, 4, 2022
5VH4
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BU of 5vh4 by Molmil
Crystal structure of Fab fragment of anti-TNFa antibody infliximab in an I-centered orthorhombic crystal form
Descriptor: 1,2-ETHANEDIOL, Infliximab Fab Heavy Chain, Infliximab Fab Light Chain, ...
Authors:Mayclin, S.J, Edwards, T.E, Lerch, T.F, Conlan, H, Sharpe, P.
Deposit date:2017-04-12
Release date:2017-05-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Infliximab crystal structures reveal insights into self-association.
MAbs, 9, 2017
8VHF
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BU of 8vhf by Molmil
Cryo-EM structure of GPR119-Gs-Nb35 complex with small molecule agonist MBX-2982
Descriptor: 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Kim, D.-G, Cherezov, V.
Deposit date:2024-01-01
Release date:2024-10-30
Last modified:2025-03-05
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Native mass spectrometry prescreening of G protein-coupled receptor complexes for cryo-EM structure determination.
Structure, 32, 2024
6VLV
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BU of 6vlv by Molmil
Factor XIa in complex with compound 11
Descriptor: 1-carbamimidamido-4-chloro-N-[(2R)-3-methyl-1-(morpholin-4-yl)-1-oxobutan-2-yl]isoquinoline-7-sulfonamide, CITRATE ANION, Coagulation factor XIa light chain
Authors:Lesburg, C.A.
Deposit date:2020-01-27
Release date:2020-05-06
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
5IHB
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BU of 5ihb by Molmil
Structure of the immune receptor CD33
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Myeloid cell surface antigen CD33
Authors:Dodd, R.B.
Deposit date:2016-02-29
Release date:2017-03-29
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure of ligand bound CD33 receptor associated with Alzheimer's disease
To Be Published
7LUT
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BU of 7lut by Molmil
The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.60 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, CESIUM ION, CHLORIDE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The internal aldimine form of the wild-type Salmonella typhimurium Tryptophan Synthase in complex with cesium ion at the metal coordination site and the product L-tryptophan at the enzyme beta-site at 1.60 Angstrom resolution.
To be Published
8VGP
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BU of 8vgp by Molmil
CryoEM structure of Angiopoietin-2 in complex with engineered conformationally rigid Fab 5A12.6DS
Descriptor: Angiopoietin-2, CALCIUM ION, Fab 5A12.6DS heavy chain, ...
Authors:Kung, J.E, Sudhamsu, J.
Deposit date:2023-12-27
Release date:2024-10-30
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Disulfi de constrained Fabs overcome target size limitation for high-resolution single-particle cryo-EM.
Biorxiv, 2024
7LVX
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BU of 7lvx by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.55 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, CESIUM ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-02-26
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the enzyme alpha-site and cesium ion at the metal coordination site at 1.55 Angstrom resolution.
To be Published
5VM8
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BU of 5vm8 by Molmil
Crystal structure of a Ribosomal RNA small subunit methyltransferase E from Neisseria gonorrhoeae bound to S-adenosyl methionine
Descriptor: Ribosomal RNA small subunit methyltransferase E, S-ADENOSYLMETHIONINE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-04-26
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a Ribosomal RNA small subunit methyltransferase E from Neisseria gonorrhoeae bound to S-adenosyl methionine
To Be Published
6VOT
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BU of 6vot by Molmil
Crystal structure of Pseudomonas aerugonisa PBP3 complexed to gamma-lactam YU253434
Descriptor: 1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6 -dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI
Authors:van den Akker, F.
Deposit date:2020-01-31
Release date:2020-05-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A gamma-Lactam Siderophore Antibiotic Effective against Multidrug-Resistant Gram-Negative Bacilli.
J.Med.Chem., 63, 2020
6VLX
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BU of 6vlx by Molmil
Crystal structure of FabI from Alistipes finegoldii
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL
Authors:Radka, C.D, Seetharaman, J, Rock, C.O.
Deposit date:2020-01-27
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:The genome of a Bacteroidetes inhabitant of the human gut encodes a structurally distinct enoyl-acyl carrier protein reductase (FabI).
J.Biol.Chem., 295, 2020
8VO3
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BU of 8vo3 by Molmil
Pathogenesis related 10-10 C59S mutant papaverine complex
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, Pathogenesis related 10-10 C59S mutant
Authors:Carr, S.C, Ng, K.K.S.
Deposit date:2024-01-14
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural analysis of a ligand-triggered intermolecular disulfide switch in a major latex protein from opium poppy.
Acta Crystallogr D Struct Biol, 80, 2024
7LV6
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BU of 7lv6 by Molmil
The structure of MalL mutant enzyme S536R from Bacillus subtilis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, GLYCEROL, ...
Authors:Hamill, C.J, Prentice, E.J, Bahl, C.D, Truebridge, I.S, Arcus, V.L.
Deposit date:2021-02-24
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Urea binding to guide rational design of mutations that influence enzyme dynamics
To Be Published
6VOZ
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BU of 6voz by Molmil
Artificial Metalloproteins with Dinuclear Iron Centers
Descriptor: ACETATE ION, Streptavidin, {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
Authors:Miller, K.R, Follmer, A.H, Jasniewski, A.J, Sabuncu, S, Biswas, S, Albert, T, Hendrich, M.P, Moenne-Loccoz, P, Borovik, A.S.
Deposit date:2020-02-01
Release date:2021-02-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Artificial Metalloproteins with Dinuclear Iron-Hydroxido Centers.
J.Am.Chem.Soc., 143, 2021
7LY8
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BU of 7ly8 by Molmil
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
Descriptor: 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2021-03-06
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with two molecules of N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the enzyme alpha-site, a single F6F molecule at the enzyme beta-site, and sodium ion at the metal coordination site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
To be Published

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