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4YMC
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BU of 4ymc by Molmil
Lambda-[Ru(TAP)2(dppz)]2+ bound to d(CCGGATCCGG)2
Descriptor: BARIUM ION, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*GP*AP*TP*CP*CP*GP*G)-3'), ...
Authors:Gurung, S.P, Hall, J.P, Cardin, C.J.
Deposit date:2015-03-06
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Reversal of a single base pair step controls guanine photo-oxidation by an intercalating Ru(II) dipyridophenazine complex.
To Be Published
4ZNN
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BU of 4znn by Molmil
MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56
Descriptor: Alpha-synuclein
Authors:Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
Deposit date:2015-05-05
Release date:2015-09-09
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.41 Å)
Cite:Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
3FO4
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BU of 3fo4 by Molmil
Crystal structure of guanine riboswitch C74U mutant bound to 6-chloroguanine
Descriptor: 6-chloroguanine, ACETATE ION, COBALT HEXAMMINE(III), ...
Authors:Gilbert, S.D, Batey, R.T.
Deposit date:2008-12-27
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs.
Structure, 17, 2009
3G4M
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BU of 3g4m by Molmil
Crystal structure of guanine riboswitch bound to 2-aminopurine
Descriptor: 9H-purin-2-amine, ACETATE ION, COBALT HEXAMMINE(III), ...
Authors:Gilbert, S.D, Batey, R.T.
Deposit date:2009-02-04
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs.
Structure, 17, 2009
3GES
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BU of 3ges by Molmil
Crystal structure of the guanine riboswitch C74U mutant bound to 6-O-methylguanine
Descriptor: 6-O-methylguanine, ACETATE ION, COBALT HEXAMMINE(III), ...
Authors:Gilbert, S.D, Batey, R.T.
Deposit date:2009-02-26
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs
Structure, 17, 2009
3GER
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BU of 3ger by Molmil
Guanine riboswitch bound to 6-chloroguanine
Descriptor: 6-chloroguanine, ACETATE ION, COBALT HEXAMMINE(III), ...
Authors:Gilbert, S.D, Batey, R.T.
Deposit date:2009-02-25
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs
Structure, 17, 2009
3GAO
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BU of 3gao by Molmil
Crystal structure of the guanine riboswitch bound to xanthine.
Descriptor: ACETATE ION, COBALT HEXAMMINE(III), Guanine riboswitch, ...
Authors:Gilbert, S.D, Batey, R.T.
Deposit date:2009-02-18
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs.
Structure, 17, 2009
5CX1
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BU of 5cx1 by Molmil
Nitrogenase molybdenum-iron protein beta-K400E mutant
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ...
Authors:Owens, C.P, Luca, M.A, Tezcan, F.A.
Deposit date:2015-07-28
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7476 Å)
Cite:Evidence for Functionally Relevant Encounter Complexes in Nitrogenase Catalysis.
J.Am.Chem.Soc., 137, 2015
3GOG
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BU of 3gog by Molmil
Guanine riboswitch A21G,U75C mutant bound to 6-chloroguanine
Descriptor: 6-chloroguanine, ACETATE ION, COBALT HEXAMMINE(III), ...
Authors:Gilbert, S.D, Batey, R.T.
Deposit date:2009-03-19
Release date:2009-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs
Structure, 17, 2009
3I1C
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BU of 3i1c by Molmil
Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I
Descriptor: Diisopropyl-fluorophosphatase, GLYCEROL
Authors:Lambert, A.R, Stoddard, B.L.
Deposit date:2009-06-26
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Science, 329, 2010
1HI7
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BU of 1hi7 by Molmil
NMR SOLUTION STRUCTURE OF THE DISULPHIDE-LINKED HOMODIMER OF HUMAN TFF1, 10 STRUCTURES
Descriptor: PS2 PROTEIN
Authors:Williams, M.A, Feeney, J.
Deposit date:2001-01-03
Release date:2001-01-03
Last modified:2019-04-10
Method:SOLUTION NMR
Cite:The Solution Structure of the Disulphide-Linked Dimeric of the Human Trefoil Protein Tff1
FEBS Lett., 493, 2001
3LM5
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BU of 3lm5 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B
Authors:Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-01-29
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
1I2Y
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BU of 1i2y by Molmil
1.66 A STRUCTURE OF A-DUPLEX WITH BULGED ADENOSINE, SPERMINE FORM
Descriptor: DNA/RNA (5'-R(*GP*CP*G)-D(P*AP*TP*AP*T)-R(P*AP*CP*GP*U)-3'), SPERMINE
Authors:Tereshko, V, Wallace, S, Usman, N, Wincott, F, Egli, M.
Deposit date:2001-02-12
Release date:2001-04-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:X-ray crystallographic observation of "in-line" and "adjacent" conformations in a bulged self-cleaving RNA/DNA hybrid.
RNA, 7, 2001
1I2X
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BU of 1i2x by Molmil
2.4 A STRUCTURE OF A-DUPLEX WITH BULGED ADENOSINE, SPERMIDINE FORM
Descriptor: DNA/RNA (5'-R(*GP*CP*G)-D(P*AP*TP*AP*T)-R(P*AP*CP*GP*U)-3'), SPERMIDINE
Authors:Tereshko, V, Wallace, S, Usman, N, Wincott, F, Egli, M.
Deposit date:2001-02-12
Release date:2001-04-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystallographic observation of "in-line" and "adjacent" conformations in a bulged self-cleaving RNA/DNA hybrid.
RNA, 7, 2001
6I9J
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BU of 6i9j by Molmil
Human transforming growth factor beta2 in a tetragonal crystal form
Descriptor: Transforming growth factor beta-2 proprotein
Authors:Gomis-Ruth, F.X, Marino-Puertas, L, del Amo-Maestro, L, Goulas, T.
Deposit date:2018-11-23
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recombinant production, purification, crystallization, and structure analysis of human transforming growth factor beta 2 in a new conformation.
Sci Rep, 9, 2019
5ITH
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BU of 5ith by Molmil
TIA-1 RRM2 recognition of target oligonucleotide
Descriptor: DNA (5'-D(*AP*CP*TP*CP*C*TP*TP*TP*TP*T)-3'), Nucleolysin TIA-1 isoform p40
Authors:Waris, S, Wilce, J.A, Wilce, M.C.
Deposit date:2016-03-16
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:TIA-1 RRM23 binding and recognition of target oligonucleotides.
Nucleic Acids Res., 45, 2017
5IU5
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BU of 5iu5 by Molmil
Lambda-[Ru(TAP)2(dppz)]2+ bound to d(TCGGCICCGA)2
Descriptor: BARIUM ION, DNA (5'-D(*TP*CP*GP*GP*CP*IP*CP*CP*GP*A)-3'), Ru(tap)2(dppz) complex
Authors:Hall, J.P, Cardin, C.J.
Deposit date:2016-03-17
Release date:2017-06-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unexpected enhancement of sensitised photo-oxidation by a Ru(II) complex on replacement of guanine with inosine in DNA
To Be Published
5K2H
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BU of 5k2h by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P212121 determined by MicroED
Descriptor: Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2E
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BU of 5k2e by Molmil
Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED
Descriptor: ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2F
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BU of 5k2f by Molmil
Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED
Descriptor: ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2G
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BU of 5k2g by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P21 determined by MicroED
Descriptor: Eukaryotic peptide chain release factor GTP-binding subunit
Authors:Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
Deposit date:2016-05-18
Release date:2016-09-14
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.1 Å)
Cite:Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5KOJ
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BU of 5koj by Molmil
Nitrogenase MoFeP protein in the IDS oxidized state
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ...
Authors:Owens, C.P, Tezcan, F.A.
Deposit date:2016-06-30
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:Tyrosine-Coordinated P-Cluster in G. diazotrophicus Nitrogenase: Evidence for the Importance of O-Based Ligands in Conformationally Gated Electron Transfer.
J.Am.Chem.Soc., 138, 2016
5KOH
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BU of 5koh by Molmil
Nitrogenase MoFeP from Gluconacetobacter diazotrophicus in dithionite reduced state
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ...
Authors:Owens, C.P, Tezcan, F.A.
Deposit date:2016-06-30
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Tyrosine-Coordinated P-Cluster in G. diazotrophicus Nitrogenase: Evidence for the Importance of O-Based Ligands in Conformationally Gated Electron Transfer.
J.Am.Chem.Soc., 138, 2016
5KZS
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BU of 5kzs by Molmil
Listeria monocytogenes internalin-like protein lmo2027
Descriptor: Putative cell surface protein, similar to internalin proteins
Authors:Light, S.H, Nocadello, S, Minasov, G, Cardona-Correa, A, Kwon, K, Faralla, C, Bakardjiev, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-07-25
Release date:2017-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Listeria monocytogenes InlP interacts with afadin and facilitates basement membrane crossing.
Plos Pathog., 14, 2018
4MSH
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BU of 4msh by Molmil
Crystal Structure of PDE10A2 with fragment ZT0143 ((2S)-4-chloro-2,3-dihydro-1,3-benzothiazol-2-amine)
Descriptor: 4-chloro-1,3-benzothiazol-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-09-18
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014

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