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7X92
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BU of 7x92 by Molmil
The SARS-CoV-2 receptor binding domain bound with the Fab fragment of a human neutralizing antibody Ab445
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab445 heavy chain, Ab445 light chain, ...
Authors:Kamada, K, Shirouzu, M.
Deposit date:2022-03-15
Release date:2022-12-07
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with therapeutic effects in two animal models.
Iscience, 25, 2022
3SCR
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BU of 3scr by Molmil
Crystal Structure of Rice BGlu1 E386S Mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase 7, GLYCEROL, ...
Authors:Pengthaisong, S, Withers, S.G, Kuaprasert, B, Ketudat Cairns, J.R.
Deposit date:2011-06-08
Release date:2012-06-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural investigation of the basis for cellooligosaccharide synthesis by rice BGlu1 glycosynthases
to be published
6N6O
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BU of 6n6o by Molmil
Crystal structure of the human TTK in complex with an inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ...
Authors:Fenalti, G.
Deposit date:2018-11-26
Release date:2019-05-15
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
J.Med.Chem., 62, 2019
5WC2
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BU of 5wc2 by Molmil
Crystal Structure of ADP-bound human TRIP13
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Pachytene checkpoint protein 2 homolog
Authors:Jeong, B.-C, Luo, X.
Deposit date:2017-06-29
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanistic insight into TRIP13-catalyzed Mad2 structural transition and spindle checkpoint silencing.
Nat Commun, 8, 2017
5IIP
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BU of 5iip by Molmil
Staphylococcus aureus OpuCA
Descriptor: Glycine betaine/carnitine/choline ABC transporter%2C ATP-binding protein%2C putative
Authors:Tosi, T, Campeotto, I, Freemont, P.S, Grundling, A.
Deposit date:2016-03-01
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The second messenger c-di-AMP inhibits the osmolyte uptake system OpuC in Staphylococcus aureus.
Sci.Signal., 9, 2016
3JUQ
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BU of 3juq by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 cocrystallized with 2 mM racemic 5-bromo-2-(piperidin-3-ylamino)benzoic acid
Descriptor: 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B
Authors:Mentel, M, Breinbauer, R, Blankenfeldt, W.
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
6PUA
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BU of 6pua by Molmil
The 2.0 A Crystal Structure of the Type B Chloramphenicol Acetyltransferase from Vibrio cholerae
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Kim, Y, Maltseva, N, Stam, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-07-18
Release date:2019-09-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species.
Protein Sci., 29, 2020
3JUN
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BU of 3jun by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in simultaneous complex with racemic 5-bromo-2-(piperidin-3-ylamino)benzoic acid
Descriptor: 5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid, 5-bromo-2-[(3S)-piperidin-3-ylamino]benzoate, Phenazine biosynthesis protein A/B
Authors:Mentel, M, Breinbauer, R, Blankenfeldt, W.
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
7WKZ
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BU of 7wkz by Molmil
Crystal structure of the HSA complex with mycophenolate and aripiprazole
Descriptor: 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, MYCOPHENOLIC ACID, Serum albumin
Authors:Kawai, A, Yamasaki, K.
Deposit date:2022-01-12
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.992 Å)
Cite:Structural Basis of the Change in the Interaction Between Mycophenolic Acid and Subdomain IIA of Human Serum Albumin During Renal Failure.
J.Med.Chem., 66, 2023
6FEZ
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BU of 6fez by Molmil
Ryegrass mottle virus protease domain
Descriptor: Serine protease domain
Authors:Kalnins, G.
Deposit date:2018-01-03
Release date:2019-04-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:VPg Impact on Ryegrass Mottle Virus Serine-like 3C Protease Proteolysis and Structure.
Int J Mol Sci, 24, 2023
5ZGH
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BU of 5zgh by Molmil
Cryo-EM structure of the red algal PSI-LHCR
Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Pi, X.
Deposit date:2018-03-09
Release date:2018-04-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Unique organization of photosystem I-light-harvesting supercomplex revealed by cryo-EM from a red alga
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5FCH
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BU of 5fch by Molmil
Crystal Structure of Xaa-Pro dipeptidase from Xanthomonas campestris, phosphate and Zn bound
Descriptor: DI(HYDROXYETHYL)ETHER, GLY-GLY-GLY, GLYCEROL, ...
Authors:Kumar, A, Are, V, Ghosh, B, Jamdar, S, Makde, R.D.
Deposit date:2015-12-15
Release date:2016-12-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure and biochemical investigations reveal novel mode of substrate selectivity and illuminate substrate inhibition and allostericity in a subfamily of Xaa-Pro dipeptidases
Biochim. Biophys. Acta, 1865, 2017
3MST
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BU of 3mst by Molmil
Crystal structure of a Putative nitrate transport protein (TVN0104) from THERMOPLASMA VOLCANIUM at 1.35 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-04-29
Release date:2011-02-09
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of a Putative nitrate transport protein (TVN0104) from THERMOPLASMA VOLCANIUM at 1.35 A resolution
To be published
3M5K
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BU of 3m5k by Molmil
Crystal structure of Putative NADH dehydrogenase/NAD(P)H nitroreductase (BDI_1728) from Parabacteroides distasonis ATCC 8503 at 1.86 A resolution
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Putative NADH dehydrogenase/NAD(P)H nitroreductase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-03-12
Release date:2010-05-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal structure of Putative NADH dehydrogenase/NAD(P)H nitroreductase (BDI_1728) from Parabacteroides distasonis ATCC 8503 at 1.86 A resolution
To be Published
5FMQ
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BU of 5fmq by Molmil
Crystal structure of the mid, cap-binding, mid-link and 627 domains from avian influenza A virus polymerase PB2 subunit bound to M7GTP H32 crystal form
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, INFLUENZA A PB2 SUBUNIT
Authors:Thierry, E, Pflug, A, Hart, D, Cusack, S.
Deposit date:2015-11-07
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains.
Mol.Cell, 61, 2016
3JUM
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BU of 3jum by Molmil
Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with 5-bromo-2-((1S,3R)-3-carboxycyclohexylamino)benzoic acid
Descriptor: 5-bromo-2-{[(1S,3R)-3-carboxycyclohexyl]amino}benzoic acid, Phenazine biosynthesis protein A/B
Authors:Mentel, M, Breinbauer, R, Blankenfeldt, W.
Deposit date:2009-09-15
Release date:2009-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Active Site of an Enzyme Can Host Both Enantiomers of a Racemic Ligand Simultaneously
Angew.Chem.Int.Ed.Engl., 48, 2009
5FJI
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BU of 5fji by Molmil
Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ...
Authors:Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S.
Deposit date:2015-10-09
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
6COK
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BU of 6cok by Molmil
Structure of the 2nd TOG domain from yeast CLASP protein STU1
Descriptor: Protein STU1
Authors:Majumdar, S, Rice, L.M.
Deposit date:2018-03-12
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:An isolated CLASP TOG domain suppresses microtubule catastrophe and promotes rescue.
Mol. Biol. Cell, 29, 2018
5GUE
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BU of 5gue by Molmil
Crystal structure of CotB2 (GGSPP/Mg2+-Bound Form) from Streptomyces melanosporofaciens
Descriptor: Cyclooctat-9-en-7-ol synthase, MAGNESIUM ION, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid
Authors:Tomita, T, Kim, S.-Y, Ozaki, T, Yoshida, A, Kuzuyama, T, Nishiyama, M.
Deposit date:2016-08-28
Release date:2017-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Insights into the CotB2-Catalyzed Cyclization of Geranylgeranyl Diphosphate to the Diterpene Cyclooctat-9-en-7-ol
ACS Chem. Biol., 12, 2017
3CXM
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BU of 3cxm by Molmil
Leishmania naiffi uracil-DNA glycosylase in complex with 5-bromouracil
Descriptor: 5-bromopyrimidine-2,4(1H,3H)-dione, BROMIDE ION, GLYCEROL, ...
Authors:Larson, E.T, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2008-04-24
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structures of Leishmania naiffi uracil-DNA glycosylase in complex with several ligands identified with fragment cocktail crystallography.
To be Published
6G74
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BU of 6g74 by Molmil
Structure of the Y21F variant of quinolinate synthase in complex with phthalate
Descriptor: IRON/SULFUR CLUSTER, PHTHALIC ACID, Quinolinate synthase A
Authors:Volbeda, A, Fontecilla-Camps, J.C.
Deposit date:2018-04-04
Release date:2018-04-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic Trapping of Reaction Intermediates in Quinolinic Acid Synthesis by NadA.
ACS Chem. Biol., 13, 2018
6FND
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BU of 6fnd by Molmil
Crystal structure of Toxoplasma gondii AKMT
Descriptor: 1,2-ETHANEDIOL, Apical complex lysine methyltransferase, DI(HYDROXYETHYL)ETHER, ...
Authors:Pivovarova, Y, Dong, G.
Deposit date:2018-02-02
Release date:2018-11-14
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structure of a Novel Dimeric SET Domain Methyltransferase that Regulates Cell Motility.
J. Mol. Biol., 430, 2018
6QE6
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BU of 6qe6 by Molmil
Structure of M. capricolum TrmK in complex with the natural cofactor product S-adenosyl-homocysteine (SAH)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (Adenine(22)-N(1))-methyltransferase
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-04
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
6FSW
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BU of 6fsw by Molmil
Structure of Archaeoglobus fulgidus SBDS protein at 1.9 Angstrom
Descriptor: DI(HYDROXYETHYL)ETHER, Ribosome maturation protein SDO1-like protein
Authors:Mazzorana, M, Foadi, J, Siliqi, D, Sanchez-Puig, N.
Deposit date:2018-02-20
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational flexibility of proteins involved in ribosome biogenesis: investigations via Small Angle X-ray Scattering (SAXS)
Crystals, 8, 2018
5ZIH
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BU of 5zih by Molmil
Crystal structure of the red light-activated channelrhodopsin Chrimson.
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Sensory opsin A,Chrimson
Authors:Oda, K, Vierock, J, Oishi, S, Taniguchi, R, Yamashita, K, Nishizawa, T, Hegemann, P, Nureki, O.
Deposit date:2018-03-15
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the red light-activated channelrhodopsin Chrimson.
Nat Commun, 9, 2018

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