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8QGR
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BU of 8qgr by Molmil
Stopper protein of phage 812 in closed conformation
Descriptor: Capsid protein, ZINC ION
Authors:Cienikova, Z, Popelarova, B, Plevka, P.
Deposit date:2023-09-05
Release date:2024-09-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Genome anchoring, retention, and release by neck proteins of Herelleviridae phage 812
To Be Published
8U6M
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BU of 8u6m by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(2-((6-chloro-2-cyanoindolizin-8-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ751), a non-nucleoside inhibitor
Descriptor: N-[2-(2-{[(4R)-6-chloro-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-09-13
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
5TUJ
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BU of 5tuj by Molmil
Ancestral Cationic Amino Acid Solute Binding Protein (AncCDT-1)
Descriptor: Ancestral protein CDT-Anc1
Authors:Kaczmarski, J.A, Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2016-11-06
Release date:2017-12-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.352 Å)
Cite:Evolution of cyclohexadienyl dehydratase from an ancestral solute-binding protein.
Nat. Chem. Biol., 14, 2018
8U6D
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BU of 8u6d by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy)ethyl)-N-methylacrylamide (JLJ736), a non-nucleoside inhibitor
Descriptor: N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenoxy]ethyl}-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-09-13
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
5C5W
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BU of 5c5w by Molmil
1.25 A resolution structure of an RNA 20-mer
Descriptor: RNA (5'-R(P*CP*CP*UP*GP*AP*GP*UP*UP*CP*AP*AP*UP*UP*CP*UP*AP*GP*CP*G)-3')
Authors:Stewart, M, Valkov, E.
Deposit date:2015-06-22
Release date:2015-10-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:1.25 angstrom resolution structure of an RNA 20-mer that binds to the TREX2 complex.
Acta Crystallogr.,Sect.F, 71, 2015
7OZC
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BU of 7ozc by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT3109_S1_15)
Descriptor: 6-O-sulfo-beta-D-galactopyranose, Arylsulfatase A, CALCIUM ION
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OQW
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BU of 7oqw by Molmil
Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ178
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), MAGNESIUM ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-06-04
Release date:2022-06-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
8U6S
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BU of 8u6s by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 8-(2-(3-morpholino-3-oxopropoxy)phenoxy)indolizine-2-carbonitrile (JLJ757), a non-nucleoside inhibitor
Descriptor: (4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-09-13
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
7ORH
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BU of 7orh by Molmil
Ternary complex of 14-3-3 sigma, p27pT198 phosphopeptide, and WQ178
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, Cyclin-dependent kinase inhibitor 1B, ...
Authors:Centorrino, F, Wu, Q, Ottmann, C.
Deposit date:2021-06-05
Release date:2022-06-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A crystallography-based study of fragment extensions into the 14-3-3 binding groove
To Be Published
8U6C
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BU of 8u6c by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 2-chloro-N-(4-chloro-3-(3-chloro-5-cyanophenoxy)phenethyl)acetamide (JLJ732), a non-nucleoside inhibitor
Descriptor: 2-chloro-N-{2-[4-chloro-3-(3-chloro-5-cyanophenoxy)phenyl]ethyl}acetamide, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Hollander, K, Henry, S, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-09-13
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
7XUV
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BU of 7xuv by Molmil
Crystal structure of RPA70N-RMI1 fusion
Descriptor: RecQ-mediated genome instability protein 1, Replication protein A 70 kDa DNA-binding subunit
Authors:Wu, Y.Y, Zang, N, Fu, W.M, Zhou, C.
Deposit date:2022-05-20
Release date:2023-06-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural characterization of human RPA70N association with DNA damage response proteins.
Elife, 12, 2023
8JV3
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BU of 8jv3 by Molmil
Structure of the SAR11 PotD in complex with glycine betaine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Spermidine/putrescine-binding periplasmic protein, ...
Authors:Ma, Q, Liu, C.
Deposit date:2023-06-27
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure of the SAR11 PotD in complex with glycine betaine
To Be Published
7MKV
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BU of 7mkv by Molmil
Engineered PLP-dependent decarboxylative aldolase from Aspergillus flavus, UstD2.0, bound as the internal aldimine
Descriptor: Cysteine desulfurase-like protein ustD
Authors:Ellis, J.M, Buller, A.R, Bingman, C.A.
Deposit date:2021-04-27
Release date:2022-05-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Biocatalytic synthesis of non-standard amino acids by a decarboxylative aldol reaction
Nat Catal, 5, 2022
6MGQ
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BU of 6mgq by Molmil
ERAP1 in the open conformation bound to 10mer phosphinic inhibitor DG014
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum aminopeptidase 1, Phosphinic inhibitor DG014, ...
Authors:Stern, L.J, Maben, Z.
Deposit date:2018-09-14
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Conformational dynamics linked to domain closure and substrate binding explain the ERAP1 allosteric regulation mechanism.
Nat Commun, 12, 2021
7OZ8
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BU of 7oz8 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT1918_S1_46)
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, ACETATE ION, Choline-sulfatase
Authors:Cartmell, A.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
7OXN
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BU of 7oxn by Molmil
Crystal Structure of TAP01 in complex with cyclised amyloid beta peptide
Descriptor: 1,2-ETHANEDIOL, Amyloid-beta precursor protein, TAP01 family antibody heavy chain, ...
Authors:Hall, G, Cowan, R, Carr, M.D.
Deposit date:2021-06-22
Release date:2022-06-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of a novel pseudo beta-hairpin structure of N-truncated amyloid-beta for use as a vaccine against Alzheimer's disease.
Mol Psychiatry, 27, 2022
8U6R
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BU of 8u6r by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)-N-(2,2-difluoroethyl)propanamide (JLJ756), a non-nucleoside inhibitor
Descriptor: 3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
Authors:Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S.
Deposit date:2023-09-13
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
8QNL
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BU of 8qnl by Molmil
Structure of the toxin-antitoxin NatRT complex from Pseudomonas aeruginosa
Descriptor: Antitoxin Xre/MbcA/ParS-like toxin-binding domain-containing protein, PHOSPHATE ION, RES domain-containing protein
Authors:Dias Teixeira, R, Hiller, S, Jenal, U.
Deposit date:2023-09-27
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Toxin-mediated depletion of NAD and NADP drives persister formation in a human pathogen.
Embo J., 2024
8JWV
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BU of 8jwv by Molmil
Untethered R0RBR
Descriptor: BARIUM ION, E3 ubiquitin-protein ligase parkin, GLYCEROL, ...
Authors:Lenka, D.R, Kumar, A.
Deposit date:2023-06-29
Release date:2024-07-03
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Additional feedforward mechanism of Parkin activation via binding of phospho-UBL and RING0 in trans.
Elife, 13, 2024
8UPI
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BU of 8upi by Molmil
Structure of a periplasmic peptide binding protein from Mesorhizobium sp. AP09 bound to aminoserine
Descriptor: 1,2-ETHANEDIOL, AMINOSERINE, CALCIUM ION, ...
Authors:Frkic, R.L, Smith, O.B, Rahman, M, Kaczmarski, J.A, Jackson, C.J.
Deposit date:2023-10-22
Release date:2023-11-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and Characterization of a Bacterial Periplasmic Solute Binding Protein That Binds l-Amino Acid Amides.
Biochemistry, 63, 2024
7MCI
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BU of 7mci by Molmil
MoFe protein from Azotobacter vinelandii with a sulfur-replenished cofactor
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ...
Authors:Kang, W, Lee, C, Hu, Y, Ribbe, M.W.
Deposit date:2021-04-02
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Evidence of substrate binding and product release via belt-sulfur mobilization of the nitrogenase cofactor
Nat Catal, 5, 2022
7P26
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BU of 7p26 by Molmil
Sulfated host glycan recognition by carbohydrate sulfatases of the human gut microbiota (BT4631_S1_15)
Descriptor: CALCIUM ION, POLYETHYLENE GLYCOL (N=34), Putative arylsulfatase, ...
Authors:Cartmell, A.
Deposit date:2021-07-04
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Nat.Chem.Biol., 18, 2022
5UBH
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BU of 5ubh by Molmil
Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound ATP
Descriptor: ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ...
Authors:Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J.
Deposit date:2016-12-20
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase.
Biochem. J., 475, 2018
8JXK
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BU of 8jxk by Molmil
Crystal Structure of Rv0047c from Mycobacterium tuberculosis
Descriptor: Conserved protein
Authors:Ansari, M.S, Yadav, V, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A.
Deposit date:2023-06-30
Release date:2024-07-03
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Crystal Structure of Rv0047c from Mycobacterium tuberculosis
To Be Published
8UVZ
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BU of 8uvz by Molmil
Bacillus subtilis DHFR bound to NADP+ and folate
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Smith, N, Horswill, A.R, Wilson, M.A.
Deposit date:2023-11-05
Release date:2023-11-15
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Bacillus subtilis DHFR bound to NADP+ and folate
To Be Published

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