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4IRR
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BU of 4irr by Molmil
Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Thymidylate synthase
Authors:Wilk, P, Dowiercial, A, Banaszak, K, Jarmula, A, Rypniewski, W, Rode, W.
Deposit date:2013-01-15
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP
To be Published
3AEG
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BU of 3aeg by Molmil
Crystal structure of porcine heart mitochondrial complex II bound with N-Biphenyl-3-yl-2-iodo-benzamide
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K.
Deposit date:2010-02-04
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Crystal structure of porcine heart mitochondrial complex II bound with N-Biphenyl-3-yl-2-iodo-benzamide
To be Published
7W65
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BU of 7w65 by Molmil
Crystal structure of minor pilin TcpB from Vibrio cholerae complexed with secreted protein TcpF
Descriptor: Toxin coregulated pilus biosynthesis protein F, Toxin-coregulated pilus biosynthesis protein B
Authors:Oki, H, Kawahara, K, Iimori, M, Imoto, Y, Maruno, T, Uchiyama, S, Muroga, Y, Yoshida, A, Yoshida, T, Ohkubo, T, Matsuda, S, Iida, T, Nakamura, S.
Deposit date:2021-12-01
Release date:2022-11-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.05 Å)
Cite:Structural basis for the toxin-coregulated pilus-dependent secretion of Vibrio cholerae colonization factor.
Sci Adv, 8, 2022
1K3R
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BU of 1k3r by Molmil
Crystal Structure of the Methyltransferase with a Knot from Methanobacterium thermoautotrophicum
Descriptor: conserved protein MT0001
Authors:Zarembinski, T.I, Kim, Y, Peterson, K, Christendat, D, Dharamsi, A, Arrowsmith, C.H, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2001-10-03
Release date:2002-05-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Deep trefoil knot implicated in RNA binding found in an archaebacterial protein.
Proteins, 50, 2003
7W63
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BU of 7w63 by Molmil
Crystal structure of minor pilin TcpB from Vibrio cholerae
Descriptor: SULFATE ION, Toxin-coregulated pilus biosynthesis protein B
Authors:Oki, H, Kawahara, K, Iimori, M, Imoto, Y, Maruno, T, Uchiyama, S, Muroga, Y, Yoshida, A, Yoshida, T, Ohkubo, T, Matsuda, S, Iida, T, Nakamura, S.
Deposit date:2021-12-01
Release date:2022-11-09
Last modified:2022-11-16
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural basis for the toxin-coregulated pilus-dependent secretion of Vibrio cholerae colonization factor.
Sci Adv, 8, 2022
5MRB
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BU of 5mrb by Molmil
Crystal structure of human Mps1 (TTK) in complex with Cpd-5
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Dual specificity protein kinase TTK, ...
Authors:Hiruma, Y, Joosten, R.P, Perrakis, A.
Deposit date:2016-12-22
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Understanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures.
J. Biol. Chem., 292, 2017
3F8E
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BU of 3f8e by Molmil
Coumarins are a novel class of suicide carbonic anhydrase inhibitors
Descriptor: (2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid, BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Temperini, C, Maresca, A, Scozzafava, A, Supuran, C.T.
Deposit date:2008-11-12
Release date:2009-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Non-Zinc Mediated Inhibition of Carbonic Anhydrases: Coumarins Are a New Class of Suicide Inhibitors
J.Am.Chem.Soc., 131, 2009
6MTC
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BU of 6mtc by Molmil
Rabbit 80S ribosome with Z-site tRNA and IFRD2 (unrotated state)
Descriptor: 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ...
Authors:Brown, A, Baird, M.R, Yip, M.C.J, Murray, J, Shao, S.
Deposit date:2018-10-19
Release date:2018-11-21
Last modified:2019-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of translationally inactive mammalian ribosomes.
Elife, 7, 2018
6N1R
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BU of 6n1r by Molmil
Tetrahedral oligomeric complex of GyrA N-terminal fragment, solved by cryoEM in tetrahedral symmetry
Descriptor: DNA gyrase subunit A
Authors:Soczek, K.M, Grant, T, Rosenthal, P.B, Mondragon, A.
Deposit date:2018-11-10
Release date:2018-12-05
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:CryoEM structures of open dimers of Gyrase A in complex with DNA illuminate mechanism of strand passage.
Elife, 7, 2018
6N2V
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BU of 6n2v by Molmil
Manganese riboswitch from Xanthmonas oryzae bound to Mn(II)
Descriptor: MAGNESIUM ION, MANGANESE (II) ION, SODIUM ION, ...
Authors:Price, I.R, Ke, A.
Deposit date:2018-11-14
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Local-to-global signal transduction at the core of a Mn2+sensing riboswitch.
Nat Commun, 10, 2019
7B8E
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BU of 7b8e by Molmil
Torpedo californica acetylcholinesterase complexed with Ca+2
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-ethoxyethoxy)ethoxy]ethanol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L.
Deposit date:2020-12-12
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif.
Protein Sci., 30, 2021
6N36
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BU of 6n36 by Molmil
Beta-lactamase from Chitinophaga pinensis
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, ZINC ION
Authors:Osipiuk, J, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-11-14
Release date:2018-11-28
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Beta-lactamase from Chitinophaga pinensis
to be published
6FJH
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BU of 6fjh by Molmil
Crystal structure of the seleniated LkcE from Streptomyces rochei
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, LkcE, OXYGEN MOLECULE, ...
Authors:Dorival, J, Risser, F, Jacob, C, Collin, S, Drager, G, Kirschning, A, Paris, C, Chagot, B, Gruez, A, Weissman, K.J.
Deposit date:2018-01-22
Release date:2018-09-19
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis.
Nat Commun, 9, 2018
5MB5
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BU of 5mb5 by Molmil
Cocktail experiment C: fragments 103 and 171 in complex with Endothiapepsin
Descriptor: 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Radeva, N, Heine, A, Klebe, G.
Deposit date:2016-11-07
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Comparison of cocktails versus single soaking experiments
To Be Published
1AJ6
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BU of 1aj6 by Molmil
NOVOBIOCIN-RESISTANT MUTANT (R136H) OF THE N-TERMINAL 24 KDA FRAGMENT OF DNA GYRASE B COMPLEXED WITH NOVOBIOCIN AT 2.3 ANGSTROMS RESOLUTION
Descriptor: GYRASE, NOVOBIOCIN
Authors:Weston, S.A, Tunnicliffe, A, Pauptit, R.A.
Deposit date:1997-05-15
Release date:1998-05-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The entropic penalty of ordered water accounts for weaker binding of the antibiotic novobiocin to a resistant mutant of DNA gyrase: a thermodynamic and crystallographic study.
Biochemistry, 36, 1997
2N3Y
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BU of 2n3y by Molmil
NMR structure of the Y48pCMF variant of human cytochrome c in its reduced state
Descriptor: Cytochrome c, Mesoheme
Authors:Moreno-Beltran, B, Del Conte, R, Diaz-Quintana, A, De la Rosa, M.A, Turano, P, Diaz-Moreno, I.
Deposit date:2015-06-15
Release date:2016-12-14
Last modified:2017-04-26
Method:SOLUTION NMR
Cite:Structural basis of mitochondrial dysfunction in response to cytochrome c phosphorylation at tyrosine 48.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6N91
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BU of 6n91 by Molmil
Crystal Structure of Adenosine Deaminase from Vibrio cholerae Complexed with Pentostatin (Deoxycoformycin)
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYCOFORMYCIN, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ...
Authors:Maltseva, N, Kim, Y, Endres, M, Welk, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-11-30
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Adenosine Deaminase from Vibrio cholerae Complexed with Pentostatin (Deoxycoformycin) (CASP target)
To Be Published
3A36
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BU of 3a36 by Molmil
Structural insight into the membrane insertion of tail-anchored proteins by Get3
Descriptor: ATPase GET3, ZINC ION
Authors:Yamagata, A, Mimura, H, Sato, Y, Yamashita, M, Yoshikawa, A, Fukai, S.
Deposit date:2009-06-10
Release date:2010-01-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insight into the membrane insertion of tail-anchored proteins by Get3
Genes Cells, 15, 2010
4J0R
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BU of 4j0r by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand
Descriptor: 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol, Bromodomain-containing protein 4, ...
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Felletar, I, Hewings, D.S, von Delft, F, Conway, S.J, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-01-31
Release date:2013-02-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.
J.Med.Chem., 56, 2013
6EX4
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BU of 6ex4 by Molmil
Staphylococcus aureus cambialistic superoxide dismutase SodM
Descriptor: FE (III) ION, Superoxide dismutase
Authors:Barwinska-Sendra, A, Basle, A, Waldron, K.
Deposit date:2017-11-07
Release date:2018-11-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An evolutionary path to altered cofactor specificity in a metalloenzyme
Nat Commun, 2020
6MGE
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BU of 6mge by Molmil
Structure of human 4-1BBL
Descriptor: GLYCEROL, PHOSPHATE ION, Tumor necrosis factor ligand superfamily member 9
Authors:Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y.
Deposit date:2018-09-13
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab.
Nat Commun, 9, 2018
4J1B
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BU of 4j1b by Molmil
X-ray structure of the adduct between hen egg white lysozyme and AziRu (black crystal)
Descriptor: CHLORIDE ION, Lysozyme C, RUTHENIUM ION, ...
Authors:Vergara, A, Merlino, A.
Deposit date:2013-02-01
Release date:2013-04-03
Last modified:2013-05-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Interaction of Anticancer Ruthenium Compounds with Proteins: High-Resolution X-ray Structures and Raman Microscopy Studies of the Adduct between Hen Egg White Lysozyme and AziRu.
Inorg.Chem., 52, 2013
7WLM
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BU of 7wlm by Molmil
The Cryo-EM structure of siphonaxanthin chlorophyll a/b type light-harvesting complex II
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, CHLOROPHYLL A, ...
Authors:Seki, S, Nakaniwa, T, Castro-Hartmann, P, Sader, K, Kawamoto, A, Tanaka, H, Qian, P, Kurisu, G, Fujii, R.
Deposit date:2022-01-13
Release date:2022-11-23
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights into blue-green light utilization by marine green algal light harvesting complex II at 2.78 angstrom.
Bba Adv, 2, 2022
6MGV
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BU of 6mgv by Molmil
Structure of mechanically activated ion channel OSCA1.2 in nanodisc
Descriptor: Calcium permeable stress-gated cation channel 1
Authors:Jojoa-Cruz, S, Saotome, K, Patapoutian, A, Ward, A.B.
Deposit date:2018-09-15
Release date:2018-11-14
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of the mechanically activated ion channel OSCA1.2.
Elife, 7, 2018
1KIO
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BU of 1kio by Molmil
SOLUTION STRUCTURE OF THE SMALL SERINE PROTEASE INHIBITOR SGCI[L30R, K31M]
Descriptor: SERINE PROTEASE INHIBITOR I
Authors:Gaspari, Z, Patthy, A, Graf, L, Perczel, A.
Deposit date:2001-12-03
Release date:2001-12-12
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:Comparative structure analysis of proteinase inhibitors from the desert locust, Schistocerca gregaria.
Eur.J.Biochem., 269, 2002

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