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4YUI
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BU of 4yui by Molmil
Multiconformer synchrotron model of CypA at 180 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
5LY1
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BU of 5ly1 by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer)
Descriptor: CHLORIDE ION, CP2, GLYCEROL, ...
Authors:King, O.N.F, Chowdhury, R, Kawamura, A, Schofield, C.J.
Deposit date:2016-09-23
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
6Z9B
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BU of 6z9b by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with AOPCP derivative A830 (compound 16 in publication) in the closed form (crystal form III)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N, Scaletti, E.
Deposit date:2020-06-03
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of AB680: A Potent and Selective Inhibitor of CD73.
J.Med.Chem., 63, 2020
4YUK
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BU of 4yuk by Molmil
Multiconformer synchrotron model of CypA at 260 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
4YUP
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BU of 4yup by Molmil
Multiconformer fixed-target X-ray free electron (XFEL) model of CypA at 273 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
4YUG
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BU of 4yug by Molmil
Multiconformer synchrotron model of CypA at 100 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
4YUL
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BU of 4yul by Molmil
Multiconformer synchrotron model of CypA at 280 K
Descriptor: Peptidyl-prolyl cis-trans isomerase A
Authors:Keedy, D.A, Kenner, L.R, Warkentin, M, Woldeyes, R.A, Thompson, M.C, Brewster, A.S, Van Benschoten, A.H, Baxter, E.L, Hopkins, J.B, Uervirojnangkoorn, M, McPhillips, S.E, Song, J, Mori, R.A, Holton, J.M, Weis, W.I, Brunger, A.T, Soltis, M, Lemke, H, Gonzalez, A, Sauter, N.K, Cohen, A.E, van den Bedem, H, Thorne, R.E, Fraser, J.S.
Deposit date:2015-03-18
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography.
Elife, 4, 2015
6TQA
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BU of 6tqa by Molmil
X-ray structure of Roquin ROQ domain in complex with a UCP3 CDE2 SL RNA motif
Descriptor: CHLORIDE ION, MAGNESIUM ION, RNA (5'-R(P*GP*GP*UP*GP*CP*CP*UP*AP*AP*UP*AP*UP*UP*UP*AP*GP*GP*CP*AP*CP*(CCC))-3'), ...
Authors:Binas, O, Tants, J.-N, Peter, S.A, Janowski, R, Davydova, E, Braun, J, Niessing, D, Schwalbe, H, Weigand, J.E, Schlundt, A.
Deposit date:2019-12-16
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the recognition of transiently structured AU-rich elements by Roquin.
Nucleic Acids Res., 48, 2020
8SMF
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BU of 8smf by Molmil
Structure of SPO1 phage Tad2 in complex with 1''-3' gcADPR
Descriptor: (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, Gp34.65, MAGNESIUM ION
Authors:Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J.
Deposit date:2023-04-26
Release date:2023-11-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
7U4O
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BU of 7u4o by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Descriptor: 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10
Authors:Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
Deposit date:2022-02-28
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
7UXA
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BU of 7uxa by Molmil
Human tRNA Splicing Endonuclease Complex bound to pre-tRNA-ARG
Descriptor: MAGNESIUM ION, RNA (78-MER), tRNA-splicing endonuclease subunit Sen15, ...
Authors:Stanley, R.E, Hayne, C.K.
Deposit date:2022-05-05
Release date:2023-02-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Structural basis for pre-tRNA recognition and processing by the human tRNA splicing endonuclease complex.
Nat.Struct.Mol.Biol., 30, 2023
1AZC
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BU of 1azc by Molmil
STRUCTURE OF APO-AZURIN FROM ALCALIGENES DENITRIFICANS AT 1.8 ANGSTROMS RESOLUTION
Descriptor: AZURIN, COPPER (II) ION, SULFATE ION
Authors:Baker, E.N, Shepard, W.E.B, Kingston, R.L.
Deposit date:1992-12-16
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of apo-azurin from Alcaligenes denitrificans at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
1AUI
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BU of 1aui by Molmil
HUMAN CALCINEURIN HETERODIMER
Descriptor: CALCIUM ION, FE (III) ION, SERINE/THREONINE PHOSPHATASE 2B, ...
Authors:Kissinger, C.R, Parge, H.E, Knighton, D.R, Pelletier, L.A, Lewis, C.T, Tempczyk, A, Villafranca, J.E.
Deposit date:1997-08-27
Release date:1997-12-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex.
Nature, 378, 1995
1AZB
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BU of 1azb by Molmil
STRUCTURE OF APO-AZURIN FROM ALCALIGENES DENITRIFICANS AT 1.8 ANGSTROMS RESOLUTION
Descriptor: AZURIN, COPPER (II) ION, SULFATE ION
Authors:Baker, E.N, Shepard, W.E.B.
Deposit date:1992-12-16
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of apo-azurin from Alcaligenes denitrificans at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 49, 1993
8F4R
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BU of 8f4r by Molmil
Gentamicin bound aminoglycoside efflux pump AcrD
Descriptor: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, Efflux pump membrane transporter
Authors:Zhang, Z.
Deposit date:2022-11-11
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Cryo-EM Structures of AcrD Illuminate a Mechanism for Capturing Aminoglycosides from Its Central Cavity.
Mbio, 14, 2023
8F56
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BU of 8f56 by Molmil
Dimer of aminoglycoside efflux pump AcrD treated with gentamicin
Descriptor: Efflux pump membrane transporter
Authors:Zhang, Z.
Deposit date:2022-11-11
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Cryo-EM Structures of AcrD Illuminate a Mechanism for Capturing Aminoglycosides from Its Central Cavity.
Mbio, 14, 2023
5OPT
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BU of 5opt by Molmil
Structure of KSRP in context of Trypanosoma cruzi 40S
Descriptor: 18S rRNA, 40S ribosomal protein S10, putative, ...
Authors:Brito Querido, J, Mancera-Martinez, E, Vicens, Q, Bochler, A, Chicher, J, Simonetti, A, Hashem, Y.
Deposit date:2017-08-10
Release date:2017-11-15
Last modified:2017-12-13
Method:ELECTRON MICROSCOPY (4 Å)
Cite:The cryo-EM Structure of a Novel 40S Kinetoplastid-Specific Ribosomal Protein.
Structure, 25, 2017
8F4N
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BU of 8f4n by Molmil
Dimer of aminoglycoside efflux pump AcrD
Descriptor: Efflux pump membrane transporter
Authors:Zhang, Z.
Deposit date:2022-11-11
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Cryo-EM Structures of AcrD Illuminate a Mechanism for Capturing Aminoglycosides from Its Central Cavity.
Mbio, 14, 2023
6DF5
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BU of 6df5 by Molmil
Kaiso (ZBTB33) zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2018-05-14
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.819 Å)
Cite:A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences.
Biochemistry, 2020
6DFB
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BU of 6dfb by Molmil
Kaiso (ZBTB33) K539A zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS)
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2018-05-14
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences.
Biochemistry, 2020
6DFC
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BU of 6dfc by Molmil
Kaiso (ZBTB33) zinc finger DNA binding domain in complex with the specific Kaiso binding sequence (KBS) with a T-to-U substitution
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*AP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*UP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ...
Authors:Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E.
Deposit date:2018-05-14
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A conformational switch in the zinc finger protein Kaiso mediates differential readout of specific and methylated DNA sequences.
Biochemistry, 2020
8F3E
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BU of 8f3e by Molmil
Trimer of aminoglycoside efflux pump AcrD
Descriptor: Efflux pump membrane transporter
Authors:Zhang, Z.
Deposit date:2022-11-10
Release date:2022-12-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Cryo-EM Structures of AcrD Illuminate a Mechanism for Capturing Aminoglycosides from Its Central Cavity.
Mbio, 14, 2023
8ONH
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BU of 8onh by Molmil
Variant Surface Glycoprotein VSG11wt-Oil
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Variant surface glycoprotein, alpha-D-glucopyranose, ...
Authors:Zeelen, J.P, Stebbins, C.E, Foti, K, Gkeka, A, Vlachou, E.P.
Deposit date:2023-04-03
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:A structural classification of the variant surface glycoproteins of the African trypanosomey.
Plos Negl Trop Dis, 17, 2023
5H81
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BU of 5h81 by Molmil
HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - COMPLEX WITH NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION, heteroyohimbine synthase THAS2
Authors:Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E.
Deposit date:2015-12-23
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
7OX8
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BU of 7ox8 by Molmil
Target-bound SpCas9 complex with TRAC full RNA guide
Descriptor: CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Donohoue, P, Pacesa, M, Lau, E, Vidal, B, Irby, M.J, Nyer, D.B, Rotstein, T, Banh, L, Toh, M.T, Gibson, J, Kohrs, B, Baek, K, Owen, A.L.G, Slorach, E.M, van Overbeek, M, Fuller, C.K, May, A.P, Jinek, M, Cameron, P.
Deposit date:2021-06-22
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells.
Mol.Cell, 81, 2021

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