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4MW2
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BU of 4mw2 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1472)
Descriptor: 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-09-24
Release date:2014-04-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
5FUP
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BU of 5fup by Molmil
Crystal structure of human JARID1B in complex with 2-oxoglutarate.
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
Deposit date:2016-01-28
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
3AQU
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BU of 3aqu by Molmil
Crystal structure of a class V chitinase from Arabidopsis thaliana
Descriptor: At4g19810, CITRATE ANION
Authors:Numata, T, Ohnuma, T, Osawa, T, Fukamizo, T.
Deposit date:2010-11-19
Release date:2011-07-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:A class V chitinase from Arabidopsis thaliana: gene responses, enzymatic properties, and crystallographic analysis
Planta, 234, 2011
5FZK
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BU of 5fzk by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment N,3-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5- carboxamide (N10051a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, Collins, P, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
Deposit date:2016-03-14
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment N,3-Dimethyl-N-(Pyridin-3-Ylmethyl)-1,2-Oxazole-5-Carboxamide (N10051A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
2VOU
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BU of 2vou by Molmil
Structure of 2,6-dihydroxypyridine-3-hydroxylase from Arthrobacter nicotinovorans
Descriptor: 2,6-DIHYDROXYPYRIDINE HYDROXYLASE, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Treiber, N, Schulz, G.E.
Deposit date:2008-02-21
Release date:2008-05-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of 2,6-Dihydroxypyridine 3-Hydroxylase from a Nicotine-Degrading Pathway.
J.Mol.Biol., 379, 2008
1P92
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BU of 1p92 by Molmil
Crystal Structure of (H79A)DtxR
Descriptor: BETA-MERCAPTOETHANOL, Diphtheria toxin repressor
Authors:D'Aquino, J.A, Ringe, D.
Deposit date:2003-05-08
Release date:2004-05-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Determinants of the SRC homology domain 3-like fold.
J.Bacteriol., 185, 2003
4MPB
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BU of 4mpb by Molmil
1.7 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus
Descriptor: Betaine aldehyde dehydrogenase, CHLORIDE ION, MAGNESIUM ION
Authors:Halavaty, A.S, Shuvalova, L, Minasov, G, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-12
Release date:2013-09-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus.
Appl.Environ.Microbiol., 80, 2014
1P2Y
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BU of 1p2y by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME P450CAM IN COMPLEX WITH (S)-(-)-NICOTINE
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE
Authors:Strickler, M, Goldstein, B.M, Maxfield, K, Shireman, L, Kim, G, Matteson, D, Jones, J.P.
Deposit date:2003-04-16
Release date:2003-10-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger).
Biochemistry, 42, 2003
4MWR
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BU of 4mwr by Molmil
Anhui N9-zanamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
Authors:Wu, Y, Qi, J.X, Gao, F, Gao, G.F.
Deposit date:2013-09-25
Release date:2013-11-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
1P3D
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BU of 1p3d by Molmil
Crystal Structure of UDP-N-acetylmuramic acid:L-alanine ligase (MurC) in Complex with UMA and ANP.
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UDP-N-acetylmuramate--alanine ligase, ...
Authors:Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V.
Deposit date:2003-04-17
Release date:2003-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003
7QJX
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BU of 7qjx by Molmil
In vitro assembled 297-394 tau filaments, 700 rpm (34b)
Descriptor: Microtubule-associated protein tau
Authors:Lovestam, S, Scheres, S.H.W.
Deposit date:2021-12-17
Release date:2022-03-23
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Assembly of recombinant tau into filaments identical to those of Alzheimer's disease and chronic traumatic encephalopathy.
Elife, 11, 2022
5FKH
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BU of 5fkh by Molmil
SAM-I riboswitch bearing the H. marismortui Kt-7 variant 3bn is CU
Descriptor: BARIUM ION, POTASSIUM ION, S-ADENOSYLMETHIONINE, ...
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2015-10-15
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function.
Nucleic Acids Res., 44, 2016
7KNS
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BU of 7kns by Molmil
Cryo-EM structure of jack bean urease
Descriptor: NICKEL (II) ION, PHOSPHATE ION, Urease
Authors:Feathers, J.R, Spoth, K.A, Fromme, J.C.
Deposit date:2020-11-05
Release date:2021-03-24
Last modified:2021-04-21
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Experimental evaluation of super-resolution imaging and magnification choice in single-particle cryo-EM.
J Struct Biol X, 5, 2021
7QKJ
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BU of 7qkj by Molmil
In vitro assembled 266/297 - 391 tau filaments with MgCl2 and NaCl (14b)
Descriptor: Microtubule-associated protein tau
Authors:Lovestam, S, Scheres, S.H.W.
Deposit date:2021-12-17
Release date:2022-03-23
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Assembly of recombinant tau into filaments identical to those of Alzheimer's disease and chronic traumatic encephalopathy.
Elife, 11, 2022
5FWQ
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BU of 5fwq by Molmil
Apo structure of human Leukotriene A4 hydrolase
Descriptor: ACETATE ION, HUMAN LEUKOTRIENE A4 HYDROLASE, IMIDAZOLE, ...
Authors:Wittmann, S.K, Kalinowsky, L, Kramer, J, Bloecher, R, Steinhilber, D, Pogoryelov, D, Proschak, E, Heering, J.
Deposit date:2016-02-19
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Thermodynamic properties of leukotriene A4hydrolase inhibitors.
Bioorg.Med.Chem., 24, 2016
2E02
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BU of 2e02 by Molmil
Crystal structure of H369L mutant of yeast bleomycin hydrolase
Descriptor: Cysteine proteinase 1
Authors:O'Farrell, P.A, Joshua-Tor, L.
Deposit date:2006-10-01
Release date:2007-08-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007
8UK9
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BU of 8uk9 by Molmil
Structure of T4 Bacteriophage clamp loader mutant D110C bound to the T4 clamp, primer-template DNA, and ATP analog
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, DNA primer, ...
Authors:Marcus, K, Ghaffari-Kashani, S, Gee, C.L.
Deposit date:2023-10-12
Release date:2023-12-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM.
Nat.Struct.Mol.Biol., 31, 2024
3CF0
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BU of 3cf0 by Molmil
Structure of D2 subdomain of P97/VCP in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
Authors:Davies, J.M, Brunger, A.T, Weis, W.I.
Deposit date:2008-03-01
Release date:2008-04-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:Improved Structures of Full-Length p97, an AAA ATPase: Implications for Mechanisms of Nucleotide-Dependent Conformational Change.
Structure, 16, 2008
8UNH
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BU of 8unh by Molmil
Cryo-EM structure of T4 Bacteriophage Clamp Loader with Sliding Clamp
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Sliding clamp, ...
Authors:Huang, Y, Marcus, K, Subramanian, S, Gee, L.C, Gorday, K, Ghaffari-Kashani, S, Luo, X, Zhang, L, O'Donnell, M, Subramanian, S, Kuriyan, J.
Deposit date:2023-10-19
Release date:2023-12-13
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Autoinhibition of a clamp-loader ATPase revealed by deep mutagenesis and cryo-EM.
Nat.Struct.Mol.Biol., 31, 2024
7QDN
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BU of 7qdn by Molmil
Structure of human liver pyruvate kinase from which the B domain has been deleted
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALIC ACID, ...
Authors:Lulla, A, Hyvonen, M.
Deposit date:2021-11-27
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Anthraquinone derivatives as ADP-competitive inhibitors of liver pyruvate kinase.
Eur.J.Med.Chem., 234, 2022
8UC1
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BU of 8uc1 by Molmil
Cryo-EM structure of dolphin Prestin in low Cl buffer
Descriptor: CHLORIDE ION, Prestin
Authors:Haller, P, Bavi, N, Perozo, E.
Deposit date:2023-09-25
Release date:2023-12-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Folding of prestin's anion-binding site and the mechanism of outer hair cell electromotility.
Elife, 12, 2023
2C37
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BU of 2c37 by Molmil
RNASE PH CORE OF THE ARCHAEAL EXOSOME IN COMPLEX WITH U8 RNA
Descriptor: 5-O-phosphono-beta-D-ribofuranose, CHLORIDE ION, PROBABLE EXOSOME COMPLEX EXONUCLEASE 1, ...
Authors:Lorentzen, E, Conti, E.
Deposit date:2005-10-04
Release date:2005-11-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis of 3' End RNA Recognition and Exoribonucleolytic Cleavage by an Exosome Rnase Ph Core.
Mol.Cell, 20, 2005
2WIM
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BU of 2wim by Molmil
Crystal structure of NCAM2 IG1-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAL CELL ADHESION MOLECULE 2
Authors:Kulahin, N, Kristensen, O, Rasmussen, K, Kastrup, J, Berezin, V, Bock, E, Walmod, P, Gajhede, M.
Deposit date:2009-05-13
Release date:2010-08-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural model and trans-interaction of the entire ectodomain of the olfactory cell adhesion molecule.
Structure, 19, 2011
2WJ8
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BU of 2wj8 by Molmil
Respiratory Syncitial Virus RiboNucleoProtein
Descriptor: BORATE ION, NUCLEOPROTEIN, RNA (5'-R(*CP*CP*CP*CP*CP*C)-3')
Authors:Tawar, R.G, Duquerroy, S, Vonrhein, C, Varela, P.F, Damier-Piolle, L, Castagne, N, MacLellan, K, Bedouelle, H, Bricogne, G, Bhella, D, Eleouet, J, Rey, F.A.
Deposit date:2009-05-25
Release date:2009-12-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Crystal Structure of a Nucleocapsid-Like Nucleoprotein-RNA Complex of Respiratory Syncytial Virus
Science, 326, 2009
5CIX
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BU of 5cix by Molmil
Structure of the complex of type 1 Ribosome inactivating protein with triethanolamine at 1.88 Angstrom resolution
Descriptor: 2,2',2''-NITRILOTRIETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, ...
Authors:Singh, P.K, Pandey, S, Tyagi, T.K, Singh, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-07-13
Release date:2015-08-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure of the complex of type 1 Ribosome inactivating protein with triethanolamine at 1.88 Angstrom resolution.
To Be Published

223790

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