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7ZOC
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BU of 7zoc by Molmil
Crystal structure of the peptidase domain of collagenase H from Clostridium histolyticum in complex with N-aryl-2-alkylmercaptoacetamide-based inhibitor
Descriptor: CALCIUM ION, Collagenase ColH, ZINC ION, ...
Authors:Schoenauer, E, Brandstetter, H.
Deposit date:2022-04-25
Release date:2023-05-10
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:N-Aryl-2-iso-butylmercaptoacetamides: the discovery of highly potent and selective inhibitors of Pseudomonas aeruginosa virulence factor LasB and Clostridium histolyticum virulence factor ColH
Chemrxiv, 2022
4ZYB
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BU of 4zyb by Molmil
High resolution structure of M23 peptidase LytM with substrate analogue
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Grabowska, M, Jagielska, E, Czapinska, H, Bochtler, M, Sabala, I.
Deposit date:2015-05-21
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High resolution structure of an M23 peptidase with a substrate analogue.
Sci Rep, 5, 2015
3DRX
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BU of 3drx by Molmil
X-ray crystal structure of human KCTD5 protein crystallized in high-salt buffer
Descriptor: BTB/POZ domain-containing protein KCTD5
Authors:Tereshko, V, Dementieva, I, Goldstein, S.A.N.
Deposit date:2008-07-11
Release date:2009-02-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Pentameric assembly of potassium channel tetramerization domain-containing protein 5.
J.Mol.Biol., 387, 2009
8A37
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BU of 8a37 by Molmil
Crystal structure of PpSB1-LOV-K117E mutant (dark state), tetragonal form
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, Sensory box protein
Authors:Batra-Safferling, R, Granzin, J.
Deposit date:2022-06-07
Release date:2023-07-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of PpSB1-LOV-K117E mutant (dark state), tetragonal form
To Be Published
3DV6
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BU of 3dv6 by Molmil
Crystal structure of SAG506-01, tetragonal, crystal 2
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ...
Authors:Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V.
Deposit date:2008-07-18
Release date:2008-12-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
3DRZ
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BU of 3drz by Molmil
X-ray crystal structure of the N-terminal BTB domain of human KCTD5 protein
Descriptor: BTB/POZ domain-containing protein KCTD5
Authors:Tereshko, V, Dementieva, I, Goldstein, S.A.N.
Deposit date:2008-07-11
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pentameric assembly of potassium channel tetramerization domain-containing protein 5.
J.Mol.Biol., 387, 2009
4L4U
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BU of 4l4u by Molmil
Crystal structure of construct containing A. aeolicus NtrC1 receiver, central and DNA binding domains
Descriptor: Transcriptional regulator (NtrC family)
Authors:Vidangos, N.K, Maris, A.E, Young, A, Hong, E, Pelton, J.G, Batchelor, J.D, Wemmer, D.E.
Deposit date:2013-06-09
Release date:2013-08-28
Last modified:2013-10-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure, function, and tethering of DNA-binding domains in sigma (54) transcriptional activators.
Biopolymers, 99, 2013
8ABX
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BU of 8abx by Molmil
Crystal structure of IDO1 in complex with Apoxidole-1
Descriptor: Indoleamine 2,3-dioxygenase 1, O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate, O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate, ...
Authors:Dotsch, L, Ziegler, S, Waldmann, H, Gasper, R.
Deposit date:2022-07-05
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of a Novel Pseudo-Natural Product Type IV IDO1 Inhibitor Chemotype.
Angew.Chem.Int.Ed.Engl., 61, 2022
8AE4
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BU of 8ae4 by Molmil
Crystal structure of human legumain in complex with Clitocypin 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Clitocypin-2, ...
Authors:Elamin, T, Brandstetter, H, Dall, E.
Deposit date:2022-07-12
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural and functional studies of legumain-mycocypin complexes revealed a competitive, exosite-regulated mode of interaction.
J.Biol.Chem., 298, 2022
5FOY
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BU of 5foy by Molmil
De novo structure of the binary mosquito larvicide BinAB at pH 7
Descriptor: 41.9 KDA INSECTICIDAL TOXIN, LARVICIDAL TOXIN 51 KDA PROTEIN
Authors:Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S.
Deposit date:2015-11-26
Release date:2016-10-05
Last modified:2019-08-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
8AE5
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BU of 8ae5 by Molmil
Crystal structure of human legumain in complex with macrocypin 1a
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain, ...
Authors:Elamin, T, Brandstetter, H, Dall, E.
Deposit date:2022-07-12
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural and functional studies of legumain-mycocypin complexes revealed a competitive, exosite-regulated mode of interaction.
J.Biol.Chem., 298, 2022
5GNS
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BU of 5gns by Molmil
Structures of human Mitofusin 1 provide insight into mitochondrial tethering
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, Mitofusin-1
Authors:Qi, Y, Yan, L, Yu, C, Guo, X, Zhou, X, Hu, X, Huang, X, Rao, Z, Lou, Z, Hu, J.
Deposit date:2016-07-24
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Structures of human Mitofusin 1 provide insight into mitochondrial tethering
To Be Published
3DRY
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BU of 3dry by Molmil
X-ray crystal structure of human KCTD5 protein crystallized in low-salt buffer
Descriptor: BTB/POZ domain-containing protein KCTD5
Authors:Tereshko, V, Dementieva, I, Goldstein, S.A.N.
Deposit date:2008-07-11
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Pentameric assembly of potassium channel tetramerization domain-containing protein 5.
J.Mol.Biol., 387, 2009
2YYX
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BU of 2yyx by Molmil
The Y65A mutant of tetraheme cytochrome c3 from Desulfovibrio Vulgaris Miyazaki F
Descriptor: Cytochrome c3, PROTOPORPHYRIN IX CONTAINING FE
Authors:Higuchi, Y, Komori, H.
Deposit date:2007-05-02
Release date:2008-05-06
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structures of Noncoordinated Aromatic Residue Mutants in Tetraheme Cytochrome c3 from Desulfovibrio vulgaris Miyazaki F
To be Published
3M5T
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BU of 3m5t by Molmil
Fragment tethered to Carbonic Anhydrase II H64C mutant
Descriptor: 3,3-diphenyl-N-(2-sulfanylethyl)propanamide, CARBONATE ION, Carbonic anhydrase 2, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G.
Deposit date:2010-03-13
Release date:2011-05-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment screening on Carbonic Anhydrase II via Tethering approach
To be Published
4L5E
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BU of 4l5e by Molmil
Crystal structure of A. aeolicus NtrC1 DNA binding domain
Descriptor: SULFATE ION, Transcriptional regulator (NtrC family)
Authors:Young, A, Maris, A.E, Vidangos, N.K, Hong, E, Pelton, J.G, Batchelor, J.D, Wemmer, D.E.
Deposit date:2013-06-10
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structure, function, and tethering of DNA-binding domains in sigma (54) transcriptional activators.
Biopolymers, 99, 2013
8AYE
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BU of 8aye by Molmil
E. coli 70S ribosome bound to thermorubin and fMet-tRNA
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Sanyal, S, Parajuli, N.P, Emmerich, A.G.
Deposit date:2022-09-02
Release date:2023-03-01
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (1.96 Å)
Cite:Antibiotic thermorubin tethers ribosomal subunits and impedes A-site interactions to perturb protein synthesis in bacteria.
Nat Commun, 14, 2023
4GX8
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BU of 4gx8 by Molmil
Crystal structure of a DNA polymerase III alpha-epsilon chimera
Descriptor: CHLORIDE ION, DNA polymerase III subunit epsilon,DNA polymerase III subunit alpha
Authors:Robinson, A, Horan, N, Xu, Z.-Q, Dixon, N.E, Oakley, A.J.
Deposit date:2012-09-04
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Proofreading exonuclease on a tether: the complex between the E. coli DNA polymerase III subunits alpha, {varepsilon}, theta and beta reveals a highly flexible arrangement of the proofreading domain
Nucleic Acids Res., 41, 2013
5GGZ
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BU of 5ggz by Molmil
Crystal structure of novel inhibitor bound with Hsp90
Descriptor: Heat shock protein HSP 90-alpha, [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone
Authors:Chen, T.T, Li, J, Xu, Y.C.
Deposit date:2016-06-16
Release date:2017-03-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Novel Tetrahydropyrido[4,3-d]pyrimidines as Potent Inhibitors of Chaperone Heat Shock Protein 90
J. Med. Chem., 59, 2016
6S46
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BU of 6s46 by Molmil
Room temperature structure of the LOV2 domain of phototropin-2 from Arabidopsis thaliana 4158 ms after initiation of illumination, determined with a serial crystallography approach
Descriptor: FLAVIN MONONUCLEOTIDE, Phototropin-2
Authors:Aumonier, S, Santoni, G, Gotthard, G, von Stetten, D, Leonard, G, Royant, A.
Deposit date:2019-06-26
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Millisecond time-resolved serial oscillation crystallography of a blue-light photoreceptor at a synchrotron.
Iucrj, 7, 2020
3OL5
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BU of 3ol5 by Molmil
Crystal Structure of Cytochrome P450cam crystallized with a tethered substrate analog 3OH-AdaC1-C8-Dans
Descriptor: (1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-08-25
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized with a tethered substrate analog 3OH-AdaC1-C8-Dans
To be Published
8B06
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BU of 8b06 by Molmil
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 25 sec
Descriptor: CESIUM ION, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-07
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
6FOE
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BU of 6foe by Molmil
BaxB01 Fab fragment
Descriptor: Fab BaxB01 heavy chain, Fab BaxB01 light chain
Authors:Hollerweger, J, Schinagl, A, Kerschbaumer, R.J, Scheiflinger, F, Thiele, M, Goettig, P, Brandstetter, H.
Deposit date:2018-02-07
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Role of the Cysteine 81 Residue of Macrophage Migration Inhibitory Factor as a Molecular Redox Switch.
Biochemistry, 57, 2018
8B08
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BU of 8b08 by Molmil
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 30 sec
Descriptor: CESIUM ION, CHLORIDE ION, SN-GLYCEROL-3-PHOSPHATE, ...
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-07
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023
8B05
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BU of 8b05 by Molmil
TRYPTOPHAN SYNTHASE - Cryo-trapping by the spitrobot crystal plunger after 20 sec
Descriptor: CESIUM ION, CHLORIDE ION, INDOLE, ...
Authors:Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Dopke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C.
Deposit date:2022-09-07
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography.
Nat Commun, 14, 2023

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