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3WMS
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BU of 3wms by Molmil
The crystal structure of Y195I mutant alpha-cyclodextrin glycosyltransferase from Paenibacillus macerans
Descriptor: Alpha-cyclodextrin glucanotransferase, CALCIUM ION
Authors:Xie, T, Hou, Y.J, Li, D.F, Yue, Y, Qian, S.J, Chao, Y.P.
Deposit date:2013-11-24
Release date:2014-11-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of a mutant Y195I alpha-cyclodextrin glycosyltransferase with switched product specificity from alpha-cyclodextrin to beta-/ gamma-cyclodextrin
J.Biotechnol., 182-183, 2014
3WBB
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BU of 3wbb by Molmil
Crystal Structures of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum
Descriptor: Diaminopimelate dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
Deposit date:2013-05-14
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural and mutational studies on the unusual substrate specificity of meso-diaminopimelate dehydrogenase from Symbiobacterium thermophilum.
Chembiochem, 15, 2014
2A8S
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BU of 2a8s by Molmil
2.45 Angstrom Crystal Structure of the Complex Between the Nuclear SnoRNA Decapping Nudix Hydrolase X29, Manganese and GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, U8 snoRNA-binding protein X29
Authors:Scarsdale, J.N, Peculis, B.A, Wright, H.T.
Deposit date:2005-07-08
Release date:2006-03-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structures of U8 snoRNA decapping nudix hydrolase, X29, and its metal and cap complexes
Structure, 14, 2006
8UA2
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BU of 8ua2 by Molmil
Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (proteolyzed fragment)
Descriptor: IODIDE ION, RL2
Authors:Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D.
Deposit date:2023-09-20
Release date:2024-02-28
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold.
Proteins, 92, 2024
3ZQ9
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BU of 3zq9 by Molmil
Structure of a Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44
Descriptor: (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Ariza, A, Eklof, J.M, Spadiut, O, Offen, W.A, Roberts, S.M, Besenmatter, W, Friis, E.P, Skjot, M, Wilson, K.S, Brumer, H, Davies, G.
Deposit date:2011-06-08
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44.
J.Biol.Chem., 286, 2011
8DL4
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BU of 8dl4 by Molmil
S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR
Descriptor: 7-(diethylamino)-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-2-oxo-2H-1-benzopyran-3-carboxamide, Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, ...
Authors:Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2022-07-06
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR
To Be Published
5XY4
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BU of 5xy4 by Molmil
CATPO mutant - V536W
Descriptor: CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase, ...
Authors:Yuzugullu Karakus, Y, Goc, G, Balci, S, Pearson, A.R, Yorke, B.
Deposit date:2017-07-06
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of the site of oxidase substrate binding in Scytalidium thermophilum catalase.
Acta Crystallogr D Struct Biol, 74, 2018
8JIG
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BU of 8jig by Molmil
A Novel UHRF1-Targeted Compound
Descriptor: E3 ubiquitin-protein ligase UHRF1, N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide
Authors:Chen, Y, Jiang, L.
Deposit date:2023-05-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Novel UHRF1-Targeted Compound
To Be Published
3OMC
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BU of 3omc by Molmil
Structure of human SND1 extended tudor domain in complex with the symmetrically dimethylated arginine PIWIL1 peptide R4me2s
Descriptor: CHLORIDE ION, SYNTHETIC PEPTIDE, Staphylococcal nuclease domain-containing protein 1
Authors:Lam, R, Liu, K, Guo, Y.H, Bian, C.B, Xu, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-08-26
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural basis for recognition of arginine methylated Piwi proteins by the extended Tudor domain.
Proc.Natl.Acad.Sci.USA, 107, 2010
3ZFX
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BU of 3zfx by Molmil
Crystal structure of EphB1
Descriptor: EPHRIN TYPE-B RECEPTOR 1, SULFATE ION
Authors:Debreczeni, J.E, Overman, R, Truman, C, McAlister, M, Attwood, T.K.
Deposit date:2012-12-12
Release date:2014-01-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Completing the Structural Family Portrait of the Human Ephb Tyrosine Kinase Domains
Protein Sci., 23, 2014
7Y1H
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BU of 7y1h by Molmil
Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1
Descriptor: 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ...
Authors:Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y.
Deposit date:2022-06-08
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1.
Embo Mol Med, 15, 2023
7Y1W
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BU of 7y1w by Molmil
Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1
Descriptor: (2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ...
Authors:Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y.
Deposit date:2022-06-09
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1.
Embo Mol Med, 15, 2023
7Y28
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BU of 7y28 by Molmil
Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1
Descriptor: 1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ...
Authors:Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y.
Deposit date:2022-06-09
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1.
Embo Mol Med, 15, 2023
7XV7
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BU of 7xv7 by Molmil
Crystal structure of ZYG11B bound to ORF10 peptide
Descriptor: Protein zyg-11 homolog B, SULFATE ION
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-05-21
Release date:2022-06-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into ORF10 recognition by ZYG11B.
Biochem.Biophys.Res.Commun., 616, 2022
7Y3S
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BU of 7y3s by Molmil
Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1
Descriptor: 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ...
Authors:Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y.
Deposit date:2022-06-12
Release date:2023-07-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1.
Embo Mol Med, 15, 2023
1AND
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BU of 1and by Molmil
ANIONIC TRYPSIN MUTANT WITH ARG 96 REPLACED BY HIS
Descriptor: ANIONIC TRYPSIN, BENZAMIDINE, COPPER (II) ION
Authors:Fletterick, R.J, Mcgrath, M.E.
Deposit date:1994-12-21
Release date:1997-04-01
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of an engineered, metal-actuated switch in trypsin.
Biochemistry, 32, 1993
5WPT
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BU of 5wpt by Molmil
Cryo-EM structure of mammalian endolysosomal TRPML1 channel in nanodiscs in closed II conformation at 3.75 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION
Authors:Chen, Q, She, J, Guo, J, Bai, X, Jiang, Y.
Deposit date:2017-08-07
Release date:2017-10-18
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:Structure of mammalian endolysosomal TRPML1 channel in nanodiscs.
Nature, 550, 2017
3OO4
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BU of 3oo4 by Molmil
R-state human hemoglobin: nitriheme modified at alpha
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ...
Authors:Yi, J, Thormas, L.M, Richter-Addo, G.B.
Deposit date:2010-08-30
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin.
Biochemistry, 50, 2011
1L7M
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BU of 1l7m by Molmil
HIGH RESOLUTION LIGANDED STRUCTURE OF PHOSPHOSERINE PHOSPHATASE (PI COMPLEX)
Descriptor: MAGNESIUM ION, PHOSPHATE ION, Phosphoserine Phosphatase
Authors:Wang, W, Cho, H.S, Kim, R, Jancarik, J, Yokota, H, Nguyen, H.H, Grigoriev, I.V, Wemmer, D.E, Kim, S.H, Berkeley Structural Genomics Center (BSGC)
Deposit date:2002-03-15
Release date:2002-04-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural characterization of the reaction pathway in phosphoserine phosphatase: crystallographic "snapshots" of intermediate states.
J.Mol.Biol., 319, 2002
8GQE
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BU of 8gqe by Molmil
Crystal structure of the W285A mutant of UVR8 in complex with RUP2
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ultraviolet-B receptor UVR8, WD repeat-containing protein RUP2
Authors:Wang, Y.D, Wang, L.X, Guan, Z.Y, chang, H.F, Yin, P.
Deposit date:2022-08-30
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:RUP2 facilitates UVR8 redimerization via two interfaces.
Plant Commun., 4, 2023
6UW2
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BU of 6uw2 by Molmil
Clotrimazole bound complex of Acanthamoeba castellanii CYP51
Descriptor: 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, GUANIDINE, Obtusifoliol 14alphademethylase, ...
Authors:Sharma, V, Podust, L.M.
Deposit date:2019-11-04
Release date:2020-10-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Domain-Swap Dimerization of Acanthamoeba castellanii CYP51 and a Unique Mechanism of Inactivation by Isavuconazole.
Mol.Pharmacol., 98, 2020
3ZCH
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BU of 3zch by Molmil
Ascorbate peroxidase W41A-H42M mutant
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ASCORBATE PEROXIDASE, POTASSIUM ION, ...
Authors:Gumiero, A, Raven, E.L, Moody, P.C.E.
Deposit date:2012-11-20
Release date:2012-12-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the Conformational Mobility of the Active Site of Ascorbate Peroxidase
Dalton Trans, 42, 2013
7DB7
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BU of 7db7 by Molmil
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound GDI05-001
Descriptor: 1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ...
Authors:Xu, M, Zhang, X, Xu, L, Chen, S.
Deposit date:2020-10-19
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
8DWT
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BU of 8dwt by Molmil
SPOP W22R Form 2
Descriptor: Speckle-type POZ protein
Authors:Cuneo, M.J, Mittag, T, O'Flynn, B, Lo, Y.H.
Deposit date:2022-08-02
Release date:2023-01-18
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Higher-order SPOP assembly reveals a basis for cancer mutant dysregulation.
Mol.Cell, 83, 2023
8DWV
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BU of 8dwv by Molmil
Full-length wild type SPOP
Descriptor: Speckle-type POZ protein
Authors:Cuneo, M.J, Mittag, T, O'Flynn, B, Lo, Y.H.
Deposit date:2022-08-02
Release date:2023-01-18
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Higher-order SPOP assembly reveals a basis for cancer mutant dysregulation.
Mol.Cell, 83, 2023

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