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6YGZ
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BU of 6ygz by Molmil
tRNA Guanine Transglycosylase (TGT) labelled with 5-fluoro-tryptophan in co-crystallized complex with 6-Amino-4-(2-phenylethyl)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Descriptor: 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE, Queuine tRNA-ribosyltransferase, ZINC ION
Authors:Nguyen, A, Heine, A, Klebe, G.
Deposit date:2020-03-28
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts
To Be Published
6HIX
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BU of 6hix by Molmil
Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the large mitoribosomal subunit
Descriptor: 12S rRNA, 50S ribosomal protein L13, putative, ...
Authors:Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, K, Leitner, A, Boehringer, D, Schneider, A, Ban, N.
Deposit date:2018-08-31
Release date:2018-09-26
Last modified:2019-02-06
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes.
Science, 362, 2018
5YPW
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BU of 5ypw by Molmil
Crystal structure of IlvN.Val-1b
Descriptor: Acetolactate synthase isozyme 1 small subunit, VALINE
Authors:Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B.
Deposit date:2017-11-03
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019
6SPE
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BU of 6spe by Molmil
Pseudomonas aeruginosa 30s ribosome from a clinical isolate
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Halfon, Y, Jimenez-Fernande, A, La Ros, R, Espinos, R, Krogh Johansen, H, Matzov, D, Eyal, Z, Bashan, A, Zimmerman, E, Belousoff, M, Molin, S, Yonath, A.
Deposit date:2019-09-01
Release date:2019-10-16
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure ofPseudomonas aeruginosaribosomes from an aminoglycoside-resistant clinical isolate.
Proc.Natl.Acad.Sci.USA, 116, 2019
7T26
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BU of 7t26 by Molmil
Structure of phage FBB1 anti-CBASS nuclease Acb1 in apo state
Descriptor: Acb1
Authors:Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
Deposit date:2021-12-03
Release date:2022-04-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
7T27
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BU of 7t27 by Molmil
Structure of phage FBB1 anti-CBASS nuclease Acb1-3'3'-cGAMP complex in post reaction state
Descriptor: Acb1, SULFATE ION, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid
Authors:Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
Deposit date:2021-12-03
Release date:2022-04-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
1ODY
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BU of 1ody by Molmil
HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR LP-130
Descriptor: 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE, HIV-1 PROTEASE
Authors:Kervinen, J, Lubkowski, J, Zdanov, A, Wlodawer, A, Gustchina, A.
Deposit date:1998-07-13
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Toward a universal inhibitor of retroviral proteases: comparative analysis of the interactions of LP-130 complexed with proteases from HIV-1, FIV, and EIAV.
Protein Sci., 7, 1998
5Y97
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BU of 5y97 by Molmil
Crystal structure of snake gourd seed lectin in complex with lactose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Seed lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Chandran, T, Vijayan, M, Sivaji, N, Surolia, A.
Deposit date:2017-08-23
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Ligand binding and retention in snake gourd seed lectin (SGSL). A crystallographic, thermodynamic and molecular dynamics study
Glycobiology, 28, 2018
7T28
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BU of 7t28 by Molmil
Structure of phage Bsp38 anti-Pycsar nuclease Apyc1 in apo state
Descriptor: Putative metal-dependent hydrolase, ZINC ION
Authors:Hobbs, S.J, Wein, T, Lu, A, Morehouse, B.R, Schnabel, J, Sorek, R, Kranzusch, P.J.
Deposit date:2021-12-03
Release date:2022-04-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Phage anti-CBASS and anti-Pycsar nucleases subvert bacterial immunity.
Nature, 605, 2022
6SPC
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BU of 6spc by Molmil
Pseudomonas aeruginosa 30s ribosome from an aminoglycoside resistant clinical isolate
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Halfon, Y, Jimenez-Fernande, A, La Ros, R, Espinos, R, Krogh Johansen, H, Matzov, D, Eyal, Z, Bashan, A, Zimmerman, E, Belousoff, M, Molin, S, Yonath, A.
Deposit date:2019-09-01
Release date:2019-10-16
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structure ofPseudomonas aeruginosaribosomes from an aminoglycoside-resistant clinical isolate.
Proc.Natl.Acad.Sci.USA, 116, 2019
4Z7X
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BU of 4z7x by Molmil
MdbA protein, a thiol-disulfide oxidoreductase from Actinomyces oris.
Descriptor: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, MdbA
Authors:OSIPIUK, J, Reardon-Robinson, M.E, Ton-That, H, JOACHIMIAK, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-04-08
Release date:2015-04-22
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Disulfide Bond-forming Machine Is Linked to the Sortase-mediated Pilus Assembly Pathway in the Gram-positive Bacterium Actinomyces oris.
J.Biol.Chem., 290, 2015
8Q5I
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BU of 8q5i by Molmil
Structure of Candida albicans 80S ribosome in complex with cephaeline
Descriptor: 18S ribosomal RNA, 25S rRNA, 40S ribosomal protein S0, ...
Authors:Kolosova, O, Zgadzay, Y, Stetsenko, A, Atamas, A, Guskov, A, Yusupov, M.
Deposit date:2023-08-09
Release date:2023-09-13
Last modified:2024-01-31
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structural characterization of cephaeline binding to the eukaryotic ribosome using Cryo-Electron Microscopy
Biopolym Cell, 2023
3S63
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BU of 3s63 by Molmil
Saposin-like protein Na-SLP-1
Descriptor: Saposin-like protein
Authors:Willis, C, Wang, C.K, Osman, A, Simon, A, Mulvenna, J, Pickering, D, Riboldi-Tunicliffe, A, Jones, M.K, Loukas, A, Hofmann, A.
Deposit date:2011-05-24
Release date:2012-01-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insights into the membrane interactions of the saposin-like proteins Na-SLP-1 and Ac-SLP-1 from human and dog hookworm.
Plos One, 6, 2011
1PWL
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BU of 1pwl by Molmil
Crystal structure of human Aldose Reductase complexed with NADP and Minalrestat
Descriptor: 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, aldose reductase
Authors:El-Kabbani, O, Darmanin, C, Schneider, T.R, Hazemann, I, Ruiz, F, Oka, M, Joachimiak, A, Schulze-Briese, C, Tomizaki, T, Mitschler, A, Podjarny, A.
Deposit date:2003-07-02
Release date:2004-02-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ultrahigh resolution drug design. II. Atomic resolution structures of human aldose reductase holoenzyme complexed with Fidarestat and Minalrestat: implications for the binding of cyclic imide inhibitors
PROTEINS, 55, 2004
6J9N
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BU of 6j9n by Molmil
NmeHNH+AcrIIC3
Descriptor: AcrIIC3, CRISPR-associated endonuclease Cas9
Authors:Zhu, Y.L, Gao, A, Serganov, A, Gao, P.
Deposit date:2019-01-23
Release date:2019-03-06
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (2.606 Å)
Cite:Diverse Mechanisms of CRISPR-Cas9 Inhibition by Type IIC Anti-CRISPR Proteins.
Mol. Cell, 74, 2019
6VBN
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BU of 6vbn by Molmil
Crystal Structure of hTDO2 bound to inhibitor GNE1
Descriptor: 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol, PROTOPORPHYRIN IX CONTAINING FE, Tryptophan 2,3-dioxygenase
Authors:Harris, S.F, Oh, A.
Deposit date:2019-12-19
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6VGC
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BU of 6vgc by Molmil
Crystal Structures of FLAP bound to DG-031
Descriptor: (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, 5-lipoxygenase-activating protein, CALCIUM ION, ...
Authors:Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H.
Deposit date:2020-01-07
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
5MWD
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BU of 5mwd by Molmil
Crystal structure of the BCL6 BTB-domain with compound 2
Descriptor: 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein
Authors:Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2017-01-18
Release date:2017-10-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6.
Cell Rep, 20, 2017
6YAU
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BU of 6yau by Molmil
CRYSTAL STRUCTURE OF ASGPR 1 IN COMPLEX WITH GN-A.
Descriptor: 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide, Asialoglycoprotein receptor 1, CALCIUM ION
Authors:Schreuder, H.A, Liesum, A.
Deposit date:2020-03-13
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
6UUF
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BU of 6uuf by Molmil
Crystal structure of a Nudix Hydrolase from M. Smegmatis, RenU
Descriptor: Nudix Hydrolase, RenU
Authors:Wright, K.M, Yoder, J, Shoemaker, S, Hernandez, A, Iheanacho, A, Marques, I, Amzel, M.L, Gabelli, S.B.
Deposit date:2019-10-30
Release date:2021-05-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of RenU
To Be Published
1PVT
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BU of 1pvt by Molmil
Crystal structure of sugar-phosphate aldolase from Thermotoga maritima
Descriptor: sugar-phosphate aldolase
Authors:Osipiuk, J, Cuff, M.E, Korolev, O, Skarina, T, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2003-06-28
Release date:2003-09-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of sugar-phosphate aldolase from Thermotoga maritima.
To be Published
6GQZ
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BU of 6gqz by Molmil
Petrobactin-binding engineered lipocalin without ligand
Descriptor: Neutrophil gelatinase-associated lipocalin
Authors:Skerra, A, Eichinger, A.
Deposit date:2018-06-08
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Angew. Chem. Int. Ed. Engl., 57, 2018
6YNW
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BU of 6ynw by Molmil
Cryo-EM structure of Tetrahymena thermophila mitochondrial ATP synthase - central stalk/cring
Descriptor: subunit c, subunit delta, subunit epsilon, ...
Authors:Kock Flygaard, R, Muhleip, A, Amunts, A.
Deposit date:2020-04-14
Release date:2020-09-30
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization.
Nat Commun, 11, 2020
5MQW
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BU of 5mqw by Molmil
High-speed fixed-target serial virus crystallography
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Roedig, P, Ginn, H.M, Pakendorf, T, Sutton, G, Harlos, K, Walter, T.S, Meyer, J, Fischer, P, Duman, R, Vartiainen, I, Reime, B, Warmer, M, Brewster, A.S, Young, I.D, Michels-Clark, T, Sauter, N.K, Sikorsky, M, Nelson, S, Damiani, D.S, Alonso-Mori, R, Ren, J, Fry, E.E, David, C, Stuart, D.I, Wagner, A, Meents, A.
Deposit date:2016-12-21
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High-speed fixed-target serial virus crystallography.
Nat. Methods, 14, 2017
6YG9
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BU of 6yg9 by Molmil
CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07.
Descriptor: 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid, MYRISTIC ACID, Serum albumin
Authors:Schreuder, H.A, Liesum, A.
Deposit date:2020-03-27
Release date:2021-01-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020

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