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5EKH
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BU of 5ekh by Molmil
Human Carbonic Anhydrase II complexed with a two-faced guest
Descriptor: 4-(butylaminomethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Roose, B.W, Dmochowksi, I.J.
Deposit date:2015-11-03
Release date:2016-01-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
8CB8
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BU of 8cb8 by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Ser-Thr-Leu-Leu
Descriptor: Listeriolysin regulatory protein, PHOSPHATE ION, SODIUM ION, ...
Authors:Oelker, M, Lindgren, C, Sauer-Eriksson, A.E.
Deposit date:2023-01-25
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis of promiscuous inhibition of virulence activator PrfA by nutritional peptides
To Be Published
7V03
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BU of 7v03 by Molmil
Crystal structure of cytoplasmic triosephosphate isomerase from Cuscuta australis
Descriptor: CHLORIDE ION, triosephosphate isomerase
Authors:Jones, G, Vickers, C, Patrick, W, Jameson, G.
Deposit date:2022-05-09
Release date:2023-05-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structure of cytoplasmic triosephosphate isomerase from Cuscuta australis
To Be Published
8CAJ
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BU of 8caj by Molmil
Crystal structure of SARS-CoV-2 Mpro-E166V mutant in complex with 13b-K
Descriptor: Non-structural protein 11, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
Authors:El Kilani, H, Hilgenfeld, R.
Deposit date:2023-01-24
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of SARS-CoV-2 Mpro-E166V mutant in complex with 13b-K
To Be Published
7PQ2
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BU of 7pq2 by Molmil
Crystal Structure of the Ring Nuclease 0811 from Sulfolobus islandicus (Sis0811) in its apo form
Descriptor: CRISPR-associated protein, APE2256 family, CRISPR Ring Nuclease
Authors:Molina, R, Jensen, A.L.G, Marchena-Hurtado, J, Lopez-Mendez, B, Stella, S, Montoya, G.
Deposit date:2021-09-16
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis of cyclic oligoadenylate degradation by ancillary Type III CRISPR-Cas ring nucleases.
Nucleic Acids Res., 49, 2021
5L9K
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BU of 5l9k by Molmil
OCEANOBACILLUS IHEYENSIS MACRODOMAIN WITH ADPR
Descriptor: GLYCEROL, MACROD-TYPE MACRODOMAIN, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE
Authors:Gil-Ortiz, F, Zapata-Perez, R, Martinez, A.B, Juanhuix, J, Sanchez-Ferrer, A.
Deposit date:2016-06-10
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis.
Open Biol, 7, 2017
6N8E
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BU of 6n8e by Molmil
Crystal structure of holo-ObiF1, a five domain nonribosomal peptide synthetase from Burkholderia diffusa
Descriptor: 4'-PHOSPHOPANTETHEINE, 4-(4-nitrophenyl)-L-threonine, CHLORIDE ION, ...
Authors:Kreitler, D.F, Wencewicz, T.A, Gulick, A.M.
Deposit date:2018-11-29
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structural basis of N-acyl-alpha-amino-beta-lactone formation catalyzed by a nonribosomal peptide synthetase.
Nat Commun, 10, 2019
8CBG
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BU of 8cbg by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Arg-Gly-Leu-Leu
Descriptor: Listeriolysin regulatory protein, peptide ARG-GLY-LEU-LEU
Authors:Oelker, M, Sauer-Eriksson, A.E.
Deposit date:2023-01-25
Release date:2024-08-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of promiscuous inhibition of virulence activator PrfA by nutritional peptides
To Be Published
5X2H
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BU of 5x2h by Molmil
Crystal structure of Campylobacter jejuni Cas9 in complex with sgRNA and target DNA (AGAAACA PAM)
Descriptor: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, Non-target DNA strand, ...
Authors:Yamada, M, Watanabe, Y, Hirano, H, Nakane, T, Ishitani, R, Nishimasu, H, Nureki, O.
Deposit date:2017-01-31
Release date:2017-03-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Minimal Cas9 from Campylobacter jejuni Reveals the Molecular Diversity in the CRISPR-Cas9 Systems
Mol. Cell, 65, 2017
5LA0
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BU of 5la0 by Molmil
The mechanism by which arabinoxylanases can recognise highly decorated xylans
Descriptor: CALCIUM ION, Carbohydrate binding family 6, SULFATE ION, ...
Authors:Basle, A, Labourel, A, Cuskin, F, Jackson, A, Crouch, L, Rogowski, A, Gilbert, A.
Deposit date:2016-06-13
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Mechanism by Which Arabinoxylanases Can Recognize Highly Decorated Xylans.
J.Biol.Chem., 291, 2016
8CB4
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BU of 8cb4 by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tripeptide Leu-Leu-Leu
Descriptor: Listeriolysin regulatory protein, SODIUM ION, tripeptide LEU-LEU-LEU
Authors:Oelker, M, Sauer-Eriksson, A.E.
Deposit date:2023-01-25
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural basis of promiscuous inhibition of virulence activator PrfA by nutritional peptides
To Be Published
6N8U
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BU of 6n8u by Molmil
DRAFT model of Schistosoma japonicum Glutathione S-transferase expression tag
Descriptor: Glutathione S-transferase class-mu 26 kDa isozyme
Authors:Tempel, W, Dong, C.
Deposit date:2018-11-30
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:DRAFT model of Schistosoma japonicum Glutathione S-transferase expression tag
To Be Published
7PLD
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BU of 7pld by Molmil
Caulobacter crescentus xylonolactonase with (R)-4-hydroxy-2-pyrrolidone
Descriptor: (R)-4-hydroxy-2-pyrrolidone, FE (II) ION, Smp-30/Cgr1 family protein
Authors:Paakkonen, J, Hakulinen, N, Rouvinen, J.
Deposit date:2021-08-30
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Three-dimensional structure of xylonolactonase from Caulobacter crescentus: A mononuclear iron enzyme of the 6-bladed beta-propeller hydrolase family.
Protein Sci., 31, 2022
8CBP
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BU of 8cbp by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Thr-Glu-Pro-Leu
Descriptor: Listeriolysin regulatory protein, peptide THR-GLU-PRO-LEU
Authors:Hainzl, T, Oelker, M, Sauer-Eriksson, A.E.
Deposit date:2023-01-25
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of promiscuous inhibition of Listeria virulence activator PrfA by nutritional peptides
To Be Published
8CBI
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BU of 8cbi by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with tetrapeptide Thr-Lys-Pro-Arg
Descriptor: Listeriolysin regulatory protein, SODIUM ION, peptide Thr-Lys-PRO-ARG
Authors:Oelker, M, Sauer-Eriksson, A.E.
Deposit date:2023-01-25
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of promiscuous inhibition of virulence activator PrfA by nutritional peptides
To Be Published
7V0W
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BU of 7v0w by Molmil
Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2,5 )pA
Descriptor: ADENOSINE MONOPHOSPHATE, Cyclic GMP-AMP synthase, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Wu, S, Gabelli, S.B, Sohn, J.
Deposit date:2022-05-11
Release date:2023-05-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS
Nat Commun, 15, 2024
7PQ6
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BU of 7pq6 by Molmil
Crystal Structure of the Ring Nuclease 0811 mutant-S12A from Sulfolobus islandicus (Sis0811)
Descriptor: CRISPR-associated protein, APE2256 family
Authors:Molina, R, Jensen, A.L.G, Marchena-Hurtado, J, Lopez-Mendez, B, Stella, S, Montoya, G.
Deposit date:2021-09-16
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural basis of cyclic oligoadenylate degradation by ancillary Type III CRISPR-Cas ring nucleases.
Nucleic Acids Res., 49, 2021
7PLC
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BU of 7plc by Molmil
Caulobacter crescentus xylonolactonase with D-xylose, P21 space group
Descriptor: FE (II) ION, SULFATE ION, Smp-30/Cgr1 family protein, ...
Authors:Paakkonen, J, Hakulinen, N, Rouvinen, J.
Deposit date:2021-08-30
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Three-dimensional structure of xylonolactonase from Caulobacter crescentus: A mononuclear iron enzyme of the 6-bladed beta-propeller hydrolase family.
Protein Sci., 31, 2022
5LBQ
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BU of 5lbq by Molmil
LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N2-(3-(dimethylamino)propyl)-6,7-dimethoxy-N4,N4-dimethylquinazoline-2,4-diamine, ...
Authors:Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A.
Deposit date:2016-06-16
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
8CF3
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BU of 8cf3 by Molmil
Crystal structure of S. aureus BlaR1 sensor domain in complex with cefepime
Descriptor: Cefepime (open), Regulatory protein BlaR1
Authors:Miguel-Ruano, V, Hermoso, J.A.
Deposit date:2023-02-02
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Restoring susceptibility to beta-lactam antibiotics in methicillin-resistant Staphylococcus aureus.
Nat.Chem.Biol., 2024
7ULB
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BU of 7ulb by Molmil
recombinant Mambalgin-1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Mambalgin-1
Authors:Xu, J, Lei, X, Chen, L.
Deposit date:2022-04-04
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure of recombinant mambalgin at 2.49 Angstroms resolution.
To Be Published
5EEV
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BU of 5eev by Molmil
RADIATION DAMAGE TO THE TRAP-RNA COMPLEX: DOSE (DWD) 3.88 MGy
Descriptor: (GAGUU)10GAG 53-NUCLEOTIDE RNA, TRYPTOPHAN, Transcription attenuation protein MtrB
Authors:Bury, C.S, McGeehan, J.E, Garman, E.F, Shevtsov, M.B.
Deposit date:2015-10-23
Release date:2016-05-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:RNA protects a nucleoprotein complex against radiation damage.
Acta Crystallogr D Struct Biol, 72, 2016
5X00
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BU of 5x00 by Molmil
Nucleoside Diphosphate Kinase from Vibrio cholerae is a Thermolabile Type II tetramer
Descriptor: Nucleoside diphosphate kinase
Authors:Agnihotri, P, Mishra, A.K, Pratap, J.V.
Deposit date:2017-01-19
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Nucleoside Diphosphate Kinase from Vibrio cholerae is a Thermolabile Type II tetramer.
To Be Published
8PN6
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BU of 8pn6 by Molmil
Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus
Descriptor: Genome polyprotein, Serine protease subunit NS2B
Authors:Ni, X, Fairhead, M, Balcomb, B.H, Aschenbrenner, J.C, Ferreira, L.M, Godoy, A.S, Lithgo, R.M, MacLean, E.M, Marples, P.G, Thompson, W, Tomlinson, C.W.E, Szommer, T, Wild, C, Wright, N.D, Koekemoer, L, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-06-29
Release date:2023-08-16
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus
To Be Published
6N9D
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BU of 6n9d by Molmil
Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/L133P/L151C/G154A) with matrix metalloproteinase-3 catalytic domain (MMP-3cd)
Descriptor: CALCIUM ION, Metalloproteinase inhibitor 1, Stromelysin-1, ...
Authors:Raeeszadeh-Sarmazdeh, M, Radisky, E.S, Sankaran, B.
Deposit date:2018-12-03
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Directed evolution of the metalloproteinase inhibitor TIMP-1 reveals that its N- and C-terminal domains cooperate in matrix metalloproteinase recognition.
J.Biol.Chem., 294, 2019

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PDB entries from 2024-10-02

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