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5VY6
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BU of 5vy6 by Molmil
A self-assembling D-form DNA crystal lattice
Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*T)-3'), DNA (5'-D(P*CP*CP*GP*TP*CP*A)-3'), ...
Authors:Simmons, C.R, Yan, H.
Deposit date:2017-05-24
Release date:2017-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.064 Å)
Cite:Tuning the Cavity Size and Chirality of Self-Assembling 3D DNA Crystals.
J. Am. Chem. Soc., 139, 2017
5VR4
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BU of 5vr4 by Molmil
RNA octamer containing 2'-F-4'-OMe U.
Descriptor: COBALT TETRAAMMINE ION, RNA (5'-R(*CP*GP*AP*AP*(UMO)P*UP*CP*G)-3')
Authors:Harp, J.M, Egli, M.
Deposit date:2017-05-10
Release date:2017-10-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:4'-C-Methoxy-2'-deoxy-2'-fluoro Modified Ribonucleotides Improve Metabolic Stability and Elicit Efficient RNAi-Mediated Gene Silencing.
J. Am. Chem. Soc., 139, 2017
4WDG
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BU of 4wdg by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation V321A, complexed with 2',5'-ADP
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ADENOSINE-2'-5'-DIPHOSPHATE
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-08
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
2FMO
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BU of 2fmo by Molmil
Ala177Val mutant of E. coli Methylenetetrahydrofolate Reductase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Pejchal, R, Campbell, E, Guenther, B.D, Lennon, B.W, Matthews, R.G, Ludwig, M.L.
Deposit date:2006-01-09
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Perturbations in the Ala -> Val Polymorphism of Methylenetetrahydrofolate Reductase: How Binding of Folates May Protect against Inactivation
Biochemistry, 45, 2006
5VRA
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2.35-Angstrom In situ Mylar structure of human A2A adenosine receptor at 100 K
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
Authors:Broecker, J, Morizumi, T, Ou, W.-L, Klingel, V, Kuo, A, Kissick, D.J, Ishchenko, A, Lee, M.-Y, Xu, S, Makarov, O, Cherezov, V, Ogata, C.M, Ernst, O.P.
Deposit date:2017-05-10
Release date:2017-12-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions.
Nat Protoc, 13, 2018
5VL6
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BU of 5vl6 by Molmil
Peptide 38138 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoite (Pf-CelTOS)
Descriptor: Peptide 38138
Authors:Bermudez, A, Patarroyo, M.E.
Deposit date:2017-04-25
Release date:2018-09-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Peptide 38138 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoite (Pf-CelTOS)
To Be Published
5VH8
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BU of 5vh8 by Molmil
Structure and dynamics of RNA repeat expansions that cause Huntington's Disease and myotonic dystrophy type 1
Descriptor: RNA (5'-R(*GP*AP*CP*CP*UP*GP*CP*UP*GP*CP*UP*GP*GP*UP*C)-3')
Authors:Chen, J.L, VanEtten, D.M, Fountain, M.A, Yildirim, I, Disney, M.D.
Deposit date:2017-04-12
Release date:2017-06-28
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and Dynamics of RNA Repeat Expansions That Cause Huntington's Disease and Myotonic Dystrophy Type 1.
Biochemistry, 56, 2017
2FQ1
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BU of 2fq1 by Molmil
Crystal structure of the two-domain non-ribosomal peptide synthetase EntB containing isochorismate lyase and aryl-carrier protein domains
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Isochorismatase, ...
Authors:Drake, E.J, Nicolai, D.A, Gulick, A.M.
Deposit date:2006-01-17
Release date:2006-05-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the EntB multidomain nonribosomal peptide synthetase and functional analysis of its interaction with the EntE adenylation domain.
Chem.Biol., 13, 2006
4V47
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BU of 4v47 by Molmil
Real space refined coordinates of the 30S and 50S subunits fitted into the low resolution cryo-EM map of the EF-G.GTP state of E. coli 70S ribosome
Descriptor: 16S RIBOSOMAL RNA, 23S ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ...
Authors:Gao, H, Sengupta, J, Valle, M, Korostelev, A, Eswar, N, Stagg, S.M, Van Roey, P, Agrawal, R.K, Harvey, S.T, Sali, A, Chapman, M.S, Frank, J.
Deposit date:2003-05-06
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (12.3 Å)
Cite:Study of the structural dynamics of the E. coli 70S ribosome using real space refinement
Cell(Cambridge,Mass.), 113, 2003
5VF6
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BU of 5vf6 by Molmil
Crystal structure of single chain variable fragment (scFv45).
Descriptor: single chain variable fragment
Authors:Shrestha, O.K, Tocilj, A, Joshua-Tor, L, Tonks, N.K.
Deposit date:2017-04-06
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.635 Å)
Cite:Harnessing insulin- and leptin-induced oxidation of PTP1B for therapeutic development.
Nat Commun, 9, 2018
4V6X
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BU of 4v6x by Molmil
Structure of the human 80S ribosome
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ...
Authors:Anger, A.M, Armache, J.-P, Berninghausen, O, Habeck, M, Subklewe, M, Wilson, D.N, Beckmann, R.
Deposit date:2013-02-27
Release date:2014-07-09
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (5 Å)
Cite:Structures of the human and Drosophila 80S ribosome.
Nature, 497, 2013
7LG6
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BU of 7lg6 by Molmil
BG505 SOSIP.v5.2 in complex with VRC40.01 and RM19R Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Cottrell, C.A, Torres, J.L, Wu, N.R, Ward, A.B.
Deposit date:2021-01-19
Release date:2021-09-15
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structural basis of glycan276-dependent recognition by HIV-1 broadly neutralizing antibodies.
Cell Rep, 37, 2021
4V3O
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BU of 4v3o by Molmil
Designed armadillo repeat protein with 5 internal repeats, 2nd generation C-cap and 3rd generation N-cap.
Descriptor: ACETATE ION, CALCIUM ION, YIII_M5_AII
Authors:Reichen, C, Madhurantakam, C, Pluckthun, A, Mittl, P.
Deposit date:2014-10-20
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Designed Armadillo-Repeat Proteins Show Propagation of Inter-Repeat Interface Effects
Acta Crystallogr.,Sect.D, 72, 2016
5VJP
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BU of 5vjp by Molmil
Crystal Structure of Adenine Phosphoribosyltransferase from Saccharomyces cerevisiae Complexed with L-2,5-Dideoxy-2,5-Imino-Altritol 1,6-Bisphosphate (L-DIAB) and Adenine
Descriptor: 1,2-ETHANEDIOL, ADENINE, Adenine phosphoribosyltransferase 1, ...
Authors:Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L.
Deposit date:2017-04-19
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Synthesis of bis-Phosphate Iminoaltritol Enantiomers and Structural Characterization with Adenine Phosphoribosyltransferase.
ACS Chem. Biol., 13, 2018
3UJH
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BU of 3ujh by Molmil
Crystal structure of substrate-bound Glucose-6-phosphate isomerase from Toxoplasma gondii
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLUCOSE-6-PHOSPHATE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-11-07
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of substrate-bound Glucose-6-phosphate isomerase from Toxoplasma gondii
To be Published
5VK0
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BU of 5vk0 by Molmil
Crystal structure of human MDM2 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2, Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-04-20
Release date:2018-04-25
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
3GT2
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BU of 3gt2 by Molmil
Crystal Structure of the P60 Domain from M. avium paratuberculosis Antigen MAP1272c
Descriptor: 1,2-ETHANEDIOL, Putative uncharacterized protein, SULFATE ION
Authors:Ramyar, K.X, Lingle, C.K, McWhorter, W.J, Bouyain, S, Bannantine, J.P, Geisbrecht, B.V.
Deposit date:2009-03-27
Release date:2010-04-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structures of Two P60-Family Antigens from Mycobacterium Avium Paratuberculosis
To be Published
5VL8
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BU of 5vl8 by Molmil
Coordination Chemistry within a Protein Host: Regulation of the Secondary Coordination Sphere
Descriptor: COPPER (II) ION, GLYCEROL, Streptavidin, ...
Authors:Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S.
Deposit date:2017-04-25
Release date:2018-04-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Coordination chemistry within a protein host: regulation of the secondary coordination sphere.
Chem. Commun. (Camb.), 54, 2018
2FNC
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BU of 2fnc by Molmil
Thermotoga maritima maltotriose binding protein bound with maltotriose.
Descriptor: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, maltose ABC transporter, periplasmic maltose-binding protein
Authors:Cuneo, M.J, Changela, A.
Deposit date:2006-01-10
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of redundant maltotriose binding proteins from the thermophile Thermotoga maritima
To be Published
5VK1
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BU of 5vk1 by Molmil
Crystal structure of human MDM4 in complex with a 12-mer lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI
Descriptor: Lysine-cysteine side chain dithiocarbamate stapled peptide inhibitor PMI, Protein Mdm4
Authors:Tolbert, W.D, Gohain, N, Pazgier, M.
Deposit date:2017-04-20
Release date:2018-04-25
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design.
Chem Sci, 10, 2019
5VKD
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BU of 5vkd by Molmil
Crystal structure of C-terminal domain of Ebola (Bundibugyo) nucleoprotein in complex with Fab fragment
Descriptor: Fab Heavy Chain, Fab light chain, Nucleoprotein
Authors:Radwanska, M.J, Derewenda, U, Kossiakoff, A, Derewenda, Z.S.
Deposit date:2017-04-21
Release date:2018-04-25
Last modified:2022-11-16
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:The structure of the C-terminal domain of the nucleoprotein from the Bundibugyo strain of the Ebola virus in complex with a pan-specific synthetic Fab.
Acta Crystallogr D Struct Biol, 74, 2018
4UT4
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BU of 4ut4 by Molmil
Burkholderia pseudomallei heptokinase WcbL, D-mannose complex.
Descriptor: CHLORIDE ION, PUTATIVE SUGAR KINASE, alpha-D-mannopyranose
Authors:Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J.
Deposit date:2014-07-18
Release date:2016-01-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
2FQI
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BU of 2fqi by Molmil
dual binding modes of a novel series of DHODH inhibitors
Descriptor: 2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID, ACETATE ION, Dihydroorotate dehydrogenase, ...
Authors:Baumgartner, R, Leban, J.
Deposit date:2006-01-18
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Dual binding mode of a novel series of DHODH inhibitors.
J.Med.Chem., 49, 2006
5VOX
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BU of 5vox by Molmil
Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 1)
Descriptor: V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ...
Authors:Zhao, J.
Deposit date:2017-05-03
Release date:2017-06-21
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
4W7U
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BU of 4w7u by Molmil
Crystal structure of XacCel5A in the native form
Descriptor: CACODYLATE ION, Cellulase
Authors:Paiva, J.H, Murakami, M.T.
Deposit date:2014-08-22
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of XacCel5A in the native form
To Be Published

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