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4X7G
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BU of 4x7g by Molmil
CobK precorrin-6A reductase
Descriptor: 3-[(1R,2S,3S,7S,11S,16S,17R,18R,19R)-2,7,12,18-tetrakis(2-hydroxy-2-oxoethyl)-3,13-bis(3-hydroxy-3-oxopropyl)-1,2,5,7,11,17-hexamethyl-17-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3,6,8,10,15,16,18,19,21,24-decahydrocorrin-8-yl]propanoic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Precorrin-6A reductase
Authors:Gu, S, Deery, E, Warren, M.J, Pickersgill, R.W.
Deposit date:2014-12-09
Release date:2016-01-20
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal structure of CobK reveals strand-swapping between Rossmann-fold domains and molecular basis of the reduced precorrin product trap.
Sci Rep, 5, 2015
8S9T
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BU of 8s9t by Molmil
CRISPR-Cas type III-D effector complex
Descriptor: CRISPR RNA, Cas10, Cas7-2x, ...
Authors:Schwartz, E.A, Taylor, D.W.
Deposit date:2023-03-30
Release date:2024-04-24
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:RNA targeting and cleavage by the type III-Dv CRISPR effector complex.
Nat Commun, 15, 2024
4LOG
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BU of 4log by Molmil
The crystal structure of the orphan nuclear receptor PNR ligand binding domain fused with MBP
Descriptor: Maltose ABC transporter periplasmic protein and NR2E3 protein chimeric construct
Authors:Tan, M.E, Zhou, X.E, Soon, F.-F, Li, X, Li, J, Yong, E.-L, Melcher, K, Xu, H.E.
Deposit date:2013-07-12
Release date:2013-10-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Crystal Structure of the Orphan Nuclear Receptor NR2E3/PNR Ligand Binding Domain Reveals a Dimeric Auto-Repressed Conformation.
Plos One, 8, 2013
6S70
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BU of 6s70 by Molmil
Crystal structure of CARM1 in complex with inhibitor UM251
Descriptor: 1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine, GLYCEROL, Histone-arginine methyltransferase CARM1
Authors:Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I.
Deposit date:2019-07-04
Release date:2020-03-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
8S9V
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CRISPR-Cas type III-D effector complex bound to a self-target RNA in the pre-cleavage state
Descriptor: CRISPR RNA, Cas10, Cas7-2x, ...
Authors:Schwartz, E.A, Taylor, D.W.
Deposit date:2023-03-30
Release date:2024-04-24
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:RNA targeting and cleavage by the type III-Dv CRISPR effector complex.
Nat Commun, 15, 2024
6S79
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BU of 6s79 by Molmil
Crystal structure of CARM1 in complex with inhibitor AA183
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1
Authors:Gunnell, E.A, Al-Noori, A, Dowden, J, Dreveny, I.
Deposit date:2019-07-04
Release date:2020-03-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
6S2B
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BU of 6s2b by Molmil
Structure of beta-fructofuranosidase from Schwanniomyces occidentalis complexed with fructosyl-erythritol
Descriptor: (2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Jimenez-Ortega, E, Sanz-Aparicio, J.
Deposit date:2019-06-20
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:New insights into the molecular mechanism behind mannitol and erythritol fructosylation by beta-fructofuranosidase from Schwanniomyces occidentalis.
Sci Rep, 11, 2021
8S9X
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BU of 8s9x by Molmil
CRISPR-Cas type III-D effector complex bound to self-target RNA in a post-cleavage state
Descriptor: CRISPR RNA, Cas10, Cas7-2x, ...
Authors:Schwartz, E.A, Taylor, D.W.
Deposit date:2023-03-30
Release date:2024-04-24
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:RNA targeting and cleavage by the type III-Dv CRISPR effector complex.
Nat Commun, 15, 2024
6S86
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BU of 6s86 by Molmil
Human wtSTING in complex with 3'3'-c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Stimulator of Interferon genes
Authors:Smola, M, Boura, E.
Deposit date:2019-07-08
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:No magnesium is needed for binding of the stimulator of interferon genes to cyclic dinucleotides.
Acta Crystallogr.,Sect.F, 75, 2019
4WJL
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BU of 4wjl by Molmil
Structure of human dipeptidyl peptidase 10 (DPPY): a modulator of neuronal Kv4 channels
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Inactive dipeptidyl peptidase 10, ...
Authors:Bezerra, G.A, Dobrovetsky, E, Seitova, A, Fedosyuk, S, Dhe-Paganon, S, Gruber, K.
Deposit date:2014-09-30
Release date:2015-03-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure of human dipeptidyl peptidase 10 (DPPY): a modulator of neuronal Kv4 channels.
Sci Rep, 5, 2015
6MAX
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BU of 6max by Molmil
Crystal structure of Ribonuclease P protein from Thermotoga maritima in complex with purpurin
Descriptor: Purpurin, Ribonuclease P protein component, SULFATE ION
Authors:Torres-Larios, A, Madrigal-Carrillo, E.A.
Deposit date:2018-08-28
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:A screening platform to monitor RNA processing and protein-RNA interactions in ribonuclease P uncovers a small molecule inhibitor.
Nucleic Acids Res., 47, 2019
5L5H
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BU of 5l5h by Molmil
Yeast 20S proteasome with human beta5i (1-138) and human beta6 (97-111; 118-133) in complex with PR-924
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Groll, M, Huber, E.M.
Deposit date:2016-05-28
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
7KTX
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BU of 7ktx by Molmil
Cryo-EM structure of Saccharomyces cerevisiae ER membrane protein complex bound to a Fab in DDM detergent
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ER membrane protein complex subunit 1, ER membrane protein complex subunit 2, ...
Authors:Miller-Vedam, L.E, Schirle Oakdale, N.S, Braeuning, B, Boydston, E.A, Sevillano, N, Popova, K.D, Bonnar, J.L, Shurtleff, M.J, Prabu, J.R, Stroud, R.M, Craik, C.S, Schulman, B.A, Weissman, J.S, Frost, A.
Deposit date:2020-11-24
Release date:2020-12-02
Last modified:2020-12-09
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural and mechanistic basis of the EMC-dependent biogenesis of distinct transmembrane clients.
Elife, 9, 2020
5L5V
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BU of 5l5v by Molmil
'Yeast 20S proteasome with human beta5i (1-138; V31M) and human beta6 (97-111; 118-133) in complex with epoxyketone inhibitor 18
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Groll, M, Huber, E.M.
Deposit date:2016-05-28
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
8SCA
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BU of 8sca by Molmil
Rec3 Domain from S. pyogenes Cas9
Descriptor: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1
Authors:D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G.
Deposit date:2023-04-05
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9.
Sci Adv, 10, 2024
5L6B
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BU of 5l6b by Molmil
Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in complex with ONX 0914
Descriptor: 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Groll, M, Huber, E.M.
Deposit date:2016-05-28
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A humanized yeast proteasome identifies unique binding modes of inhibitors for the immunosubunit beta 5i.
EMBO J., 35, 2016
4HIB
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BU of 4hib by Molmil
Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N4-OH
Descriptor: CHLORIDE ION, GLYCEROL, N-hydroxycytidine 5'-(dihydrogen phosphate), ...
Authors:To, T.K, Kotra, L.P, Pai, E.F.
Deposit date:2012-10-11
Release date:2012-11-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist.
J.Med.Chem., 55, 2012
8SAG
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BU of 8sag by Molmil
Carbonic anhydrase II in complex with the coumarin benzene sulfonamide SG1-57
Descriptor: 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Combs, J.E, Mckenna, R.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Carbonic anhydrase II in complex with novel coumarin benzene sulfonamides
To Be Published
1JA8
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BU of 1ja8 by Molmil
Kinetic Analysis of Product Inhibition in Human Manganese Superoxide Dismutase
Descriptor: MANGANESE (II) ION, Manganese Superoxide Dismutase, SULFATE ION
Authors:Hearn, A.S, Stroupe, M.E, Cabelli, D.E, Lepock, J.R, Tainer, J.A, Nick, H.S, Silverman, D.S.
Deposit date:2001-05-29
Release date:2001-06-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Kinetic analysis of product inhibition in human manganese superoxide dismutase.
Biochemistry, 40, 2001
1JC4
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BU of 1jc4 by Molmil
Crystal Structure of Se-Met Methylmalonyl-CoA Epimerase
Descriptor: Methylmalonyl-CoA epimerase, SULFATE ION
Authors:Mc Carthy, A.A, Baker, H.M, Shewry, S.C, Patchett, M.L, Baker, E.N.
Deposit date:2001-06-07
Release date:2001-07-11
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of methylmalonyl-coenzyme A epimerase from P. shermanii: a novel enzymatic function on an ancient metal binding scaffold.
Structure, 9, 2001
8SBF
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BU of 8sbf by Molmil
Full-length structure of the LysR-type transcriptional regulator, ACIAD0746, from Acinetobacter baylyi
Descriptor: GLYCEROL, MAGNESIUM ION, Putative transcriptional regulator (LysR family), ...
Authors:Momany, C, Nune, M, Brondani, J.C, Afful, D, Neidle, E, Galloway, N.R.
Deposit date:2023-04-03
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:FinR, a LysR-type transcriptional regulator involved in sulfur homeostasis with homologs in diverse microorganisms
To Be Published
6LPJ
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BU of 6lpj by Molmil
A2AR crystallized in EROCOC17+4, LCP-SFX at 277 K
Descriptor: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
Authors:Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M.
Deposit date:2020-01-10
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography.
Sci Rep, 10, 2020
7Q49
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BU of 7q49 by Molmil
Local refinement structure of the N-domain of full-length, monomeric, soluble somatic angiotensin I-converting enzyme
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ZINC ION, ...
Authors:Lubbe, L, Sewell, B.T, Sturrock, E.D.
Deposit date:2021-10-29
Release date:2022-07-20
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Embo J., 41, 2022
7Q3Y
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BU of 7q3y by Molmil
Structure of full-length, monomeric, soluble somatic angiotensin I-converting enzyme showing the N- and C-terminal ellipsoid domains
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Lubbe, L, Sewell, B.T, Sturrock, E.D.
Deposit date:2021-10-29
Release date:2022-07-20
Last modified:2022-08-24
Method:ELECTRON MICROSCOPY (4.34 Å)
Cite:Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization.
Embo J., 41, 2022
7VFP
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BU of 7vfp by Molmil
Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with heme and single ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ...
Authors:Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P.
Deposit date:2021-09-13
Release date:2022-11-09
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022

224004

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