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4LQ9
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BU of 4lq9 by Molmil
Crystal structure of human norovirus RNA-dependent RNA-polymerase in complex with NAF2
Descriptor: MAGNESIUM ION, RNA-dependent RNA-polymerase, naphthalene-1,5-disulfonic acid
Authors:Milani, M, Tarantino, D, Mastrangelo, E, Croci, R.
Deposit date:2013-07-17
Release date:2014-02-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Naphthalene-sulfonate inhibitors of human norovirus RNA-dependent RNA-polymerase.
Antiviral Res., 102, 2014
2RUH
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BU of 2ruh by Molmil
Chemical Shift Assignments for MIP and MDM2 in bound state
Descriptor: E3 ubiquitin-protein ligase Mdm2
Authors:Nagata, T, Shirakawa, K, Kobayashi, N, Shiheido, H, Horisawa, K, Katahira, M, Doi, N, Yanagawa, H.
Deposit date:2014-06-03
Release date:2014-10-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for Inhibition of the MDM2:p53 Interaction by an Optimized MDM2-Binding Peptide Selected with mRNA Display
Plos One, 9, 2014
7PHF
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BU of 7phf by Molmil
Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK
Descriptor: Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, S-ADENOSYL-L-HOMOCYSTEINE, methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
Authors:Dinis, P, MetsaKetela, M.
Deposit date:2021-08-17
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
5F78
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BU of 5f78 by Molmil
Crystal structure of Mutant N87T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form
Descriptor: Methylthioadenosine phosphorylase, SULFATE ION
Authors:Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M.
Deposit date:2015-12-07
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8518 Å)
Cite:Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway.
PLoS Negl Trop Dis, 10, 2016
4LQV
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BU of 4lqv by Molmil
Thrirty minutes iron loaded frog M ferritin
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
Deposit date:2013-07-19
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
5B70
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BU of 5b70 by Molmil
OxyR2 E204G regulatory domain from Vibrio vulnificus
Descriptor: GLYCEROL, LysR family transcriptional regulator
Authors:Jo, I, Ha, N.-C.
Deposit date:2016-06-02
Release date:2017-03-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The hydrogen peroxide hypersensitivity of OxyR2 in Vibrio vulnificus depends on conformational constraints
J. Biol. Chem., 292, 2017
8TET
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BU of 8tet by Molmil
Human cytomegalovirus portal vertex, non-infectious enveloped particle (NIEP) configuration 1 (NC1)
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ...
Authors:Jih, J, Liu, Y.T, Liu, W, Zhou, H.
Deposit date:2023-07-07
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (4.26 Å)
Cite:The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
7KDV
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BU of 7kdv by Molmil
Murine core lysosomal multienzyme complex (LMC) composed of acid beta-galactosidase (GLB1) and protective protein cathepsin A (PPCA, CTSA)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ...
Authors:Gorelik, A, Illes, K, Hasan, S.M.N, Nagar, B, Mazhab-Jafari, M.T.
Deposit date:2020-10-09
Release date:2021-03-17
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (4.59 Å)
Cite:Structure of the murine lysosomal multienzyme complex core.
Sci Adv, 7, 2021
7KBP
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BU of 7kbp by Molmil
Herceptin Diabody with R83T, E85C Mutations
Descriptor: GLYCEROL, Single-chain Fv
Authors:Chesterman, C, Arnold, E.
Deposit date:2020-10-02
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Co-crystallization with diabodies: A case study for the introduction of synthetic symmetry.
Structure, 29, 2021
7PGC
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BU of 7pgc by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2191
Descriptor: Inhibitor MI-2191, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-13
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
3A0M
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BU of 3a0m by Molmil
Structure of (PPG)4-OVG-(PPG)4, monoclinic, twinned crystal
Descriptor: collagen-like peptide
Authors:Okuyama, K, Morimoto, T, Mizuno, K, Bachinger, H.P.
Deposit date:2009-03-21
Release date:2010-03-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Stabilization of triple-helical structures of collagen peptides containing a Hyp-Thr-Gly, Hyp-Val-Gly, or Hyp-Ser-Gly sequence.
Biopolymers, 95, 2011
8TW2
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BU of 8tw2 by Molmil
Acinetobacter phage AP205 T=4 VLP
Descriptor: Coat protein
Authors:Meng, R, Xing, Z, Zhang, J.
Deposit date:2023-08-19
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
367D
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BU of 367d by Molmil
1.2 A STRUCTURE DETERMINATION OF THE D(CG(5-BRU)ACG)2/5-BROMO-9-AMINO-DACA COMPLEX
Descriptor: 5'-D(*CP*GP*(BRU)P*AP*CP*G)-3', 5-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-4-CARBOXAMIDE, BROMIDE ION
Authors:Todd, A.K, Adams, A, Thorpe, J.H, Denny, W.A, Cardin, C.J.
Deposit date:1997-12-19
Release date:2003-03-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Major groove binding and 'DNA-induced' fit in the intercalation of a derivative of the mixed topoisomerase I/II poison N-(2-(dimethlyamino)ethyl)acridine-4-carboxamide (DACA) into DNA: X-ray structure complexed to d(CG(5Br-U)ACG)2 at 1.3-angstrom resolution
J.Med.Chem., 42, 1999
4LO7
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BU of 4lo7 by Molmil
HA70(D3)-HA17-HA33
Descriptor: HA-17, HA-33, HA-70
Authors:Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
Deposit date:2013-07-12
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.73 Å)
Cite:Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
5B8B
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BU of 5b8b by Molmil
Crystal structure of reduced chimeric E.coli AhpC1-186-YFSKHN
Descriptor: Alkyl hydroperoxide reductase subunit C,Peroxiredoxin-2, SULFATE ION
Authors:Kamariah, N, Sek, M.F, Eisenhaber, B, Eisenhaber, F, Gruber, G.
Deposit date:2016-06-14
Release date:2017-02-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Transition steps in peroxide reduction and a molecular switch for peroxide robustness of prokaryotic peroxiredoxins.
Sci Rep, 6, 2016
3A27
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BU of 3a27 by Molmil
Crystal structure of M. jannaschii TYW2 in complex with AdoMet
Descriptor: S-ADENOSYLMETHIONINE, Uncharacterized protein MJ1557
Authors:Umitsu, M, Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2009-04-28
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Structural basis of AdoMet-dependent aminocarboxypropyl transfer reaction catalyzed by tRNA-wybutosine synthesizing enzyme, TYW2
Proc.Natl.Acad.Sci.USA, 106, 2009
7PXK
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BU of 7pxk by Molmil
X-ray structure of LPMO at 1.39x10^5 Gy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
Authors:Tandrup, T, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
5BN3
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BU of 5bn3 by Molmil
Structure of a unique ATP synthase NeqA-NeqB in complex with ADP from Nanoarcheaum equitans
Descriptor: 1,4-DIETHYLENE DIOXIDE, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Mohanty, S, Jobichen, C, Chichili, V.P.R, Sivaraman, J.
Deposit date:2015-05-25
Release date:2015-09-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for a Unique ATP Synthase Core Complex from Nanoarcheaum equitans
J.Biol.Chem., 290, 2015
7PXT
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BU of 7pxt by Molmil
Structure of an LPMO, collected from serial synchrotron crystallography data.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
Authors:Tandrup, T, Santoni, G, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
8TUX
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BU of 8tux by Molmil
Capsid of mature PP7 virion with 3'end region of PP7 genomic RNA
Descriptor: 3'end of PP7 genomic RNA, Capsid protein, Maturation protein A
Authors:Thongchol, J, Zhang, J, Zeng, L.
Deposit date:2023-08-17
Release date:2024-03-13
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Removal of Pseudomonas type IV pili by a small RNA virus.
Science, 384, 2024
7PXU
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BU of 7pxu by Molmil
LsAA9_A chemically reduced with ascorbic acid (low X-ray dose)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
5EZ3
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BU of 5ez3 by Molmil
Crystal structure Acyl-CoA dehydrogenase from Brucella melitensis in complex with FAD
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Acyl-CoA dehydrogenase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2015-11-26
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure Acyl-CoA dehydrogenase from Brucella melitensis in complex with FAD
to be published
7JN3
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BU of 7jn3 by Molmil
Cryo-EM structure of Rous sarcoma virus cleaved synaptic complex (CSC) with HIV-1 integrase strand transfer inhibitor MK-2048
Descriptor: (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*GP*CP*AP*TP*AP*AP*GP*AP*CP*AP*AP*CP*A)-3'), ...
Authors:Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P.
Deposit date:2020-08-03
Release date:2021-03-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Cryo-EM structure of the Rous sarcoma virus octameric cleaved synaptic complex intasome.
Commun Biol, 4, 2021
5BO4
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BU of 5bo4 by Molmil
Structure of SOCS2:Elongin C:Elongin B from DMSO-treated crystals
Descriptor: Suppressor of cytokine signaling 2, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2
Authors:Gadd, M.S, Bulatov, E, Ciulli, A.
Deposit date:2015-05-27
Release date:2015-07-08
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Serendipitous SAD Solution for DMSO-Soaked SOCS2-ElonginC-ElonginB Crystals Using Covalently Incorporated Dimethylarsenic: Insights into Substrate Receptor Conformational Flexibility in Cullin RING Ligases.
Plos One, 10, 2015
5F0J
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BU of 5f0j by Molmil
Structure of retromer VPS26-VPS35 subunits bound to SNX3
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ...
Authors:Lucas, M, Gershlick, D, Vidaurrazaga, A, Rojas, A.L, Bonifacino, J.S, Hierro, A.
Deposit date:2015-11-27
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Mechanism for Cargo Recognition by the Retromer Complex.
Cell, 167, 2016

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