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6P7N
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BU of 6p7n by Molmil
Cryo-EM structure of LbCas12a-crRNA: AcrVA4 (2:2 complex)
Descriptor: Cas12a, MAGNESIUM ION, anti-CRISPR VA4, ...
Authors:Knott, G.J, Liu, J.J, Doudna, J.A.
Deposit date:2019-06-06
Release date:2019-08-21
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural basis for AcrVA4 inhibition of specific CRISPR-Cas12a.
Elife, 8, 2019
6Q2F
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BU of 6q2f by Molmil
Structure of Rhamnosidase from Novosphingobium sp. PP1Y
Descriptor: Glycoside hydrolase family protein, SODIUM ION
Authors:Terry, B, Ha, J, Izzo, V, Sazinsky, M.H.
Deposit date:2019-08-07
Release date:2019-11-27
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.20000076 Å)
Cite:The crystal structure and insight into the substrate specificity of the alpha-L rhamnosidase RHA-P from Novosphingobium sp. PP1Y.
Arch.Biochem.Biophys., 679, 2019
6PY8
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BU of 6py8 by Molmil
Crystal structure of the RBPJ-NOTCH1-NRARP ternary complex bound to DNA
Descriptor: DNA, Neurogenic locus notch homolog protein 1, Notch-regulated ankyrin repeat-containing protein, ...
Authors:Jarrett, S.M, Seegar, T.C.M, Blacklow, S.C.
Deposit date:2019-07-29
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Extension of the Notch intracellular domain ankyrin repeat stack by NRARP promotes feedback inhibition of Notch signaling.
Sci.Signal., 12, 2019
5TY3
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BU of 5ty3 by Molmil
Crystal structure of K72A variant of Human Cytochrome c
Descriptor: Cytochrome c, HEME C, SULFATE ION
Authors:Mou, T.C, Nold, S.M, Lei, H, Sprang, S.R, Bowler, B.E.
Deposit date:2016-11-18
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Effect of a K72A Mutation on the Structure, Stability, Dynamics, and Peroxidase Activity of Human Cytochrome c.
Biochemistry, 56, 2017
5U5P
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BU of 5u5p by Molmil
Crystal Structure and X-ray Diffraction Data Collection of Importin-alpha from Mus Musculus Complexed with a MLH1 NLS Peptide
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA mismatch repair protein Mlh1, Importin subunit alpha-1
Authors:Barros, A.C, Takeda, A.A, Dreyer, T.R, Velazquez-Campoy, A, Kobe, B, Fontes, M.R.
Deposit date:2016-12-07
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.171 Å)
Cite:DNA mismatch repair proteins MLH1 and PMS2 can be imported to the nucleus by a classical nuclear import pathway.
Biochimie, 146, 2018
4XJ0
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BU of 4xj0 by Molmil
Crystal structure of ERK2 in complex with an inhibitor 14K
Descriptor: 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2015-01-08
Release date:2015-09-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.
J.Med.Chem., 58, 2015
6PUK
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BU of 6puk by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-JYM72
Descriptor: 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol, ACETATE ION, Beta-2-microglobulin, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
5U8G
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BU of 5u8g by Molmil
DNA Polymerase Beta crystallized in PEG 400
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ...
Authors:Eckenroth, B.E, Doublie, S.
Deposit date:2016-12-14
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Remote Mutations Induce Functional Changes in Active Site Residues of Human DNA Polymerase beta.
Biochemistry, 56, 2017
6PUF
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BU of 6puf by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-5'D-5-OP-RU
Descriptor: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6PUM
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BU of 6pum by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-2'D-5-OP-RU
Descriptor: 1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
3IQI
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BU of 3iqi by Molmil
Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide MNENI
Descriptor: Cysteine synthase, MNENI
Authors:Roderick, S.L.
Deposit date:2009-08-20
Release date:2009-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of o-acetylserine sulfhydrylase inhibitors by mimicking nature.
J.Med.Chem., 53, 2010
6PUL
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BU of 6pul by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-5-OP-RU
Descriptor: 1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, ACETATE ION, Beta-2-microglobulin, ...
Authors:Awad, W, Keller, A.N, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
1K5D
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BU of 1k5d by Molmil
Crystal structure of Ran-GPPNHP-RanBP1-RanGAP complex
Descriptor: GTP-binding nuclear protein RAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Seewald, M.J, Koerner, C, Wittinghofer, A, Vetter, I.R.
Deposit date:2001-10-10
Release date:2002-02-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:RanGAP mediates GTP hydrolysis without an arginine finger.
Nature, 415, 2002
6PUE
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BU of 6pue by Molmil
Structure of human MAIT A-F7 TCR in complex with human MR1-4'D-5-OP-RU
Descriptor: 1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ...
Authors:Awad, W, Rossjohn, J.
Deposit date:2019-07-18
Release date:2020-02-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
6JFZ
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BU of 6jfz by Molmil
GluK3 receptor complex with UBP310
Descriptor: Glutamate receptor ionotropic, kainate 3
Authors:Kumari, J, Kumar, J.
Deposit date:2019-02-13
Release date:2019-07-24
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Structural and Functional Insights into GluK3-kainate Receptor Desensitization and Recovery.
Sci Rep, 9, 2019
4Y24
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BU of 4y24 by Molmil
Complex of human Galectin-1 and TD-139
Descriptor: 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-1
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors.
Sci Rep, 6, 2016
5TS1
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BU of 5ts1 by Molmil
Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Jiang, J, Natarajan, K, Margulies, D.
Deposit date:2016-10-27
Release date:2018-05-09
Last modified:2020-02-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:MHC-restricted Ag85B-specific CD8+T cells are enhanced by recombinant BCG prime and DNA boost immunization in mice.
Eur.J.Immunol., 2019
6Q7K
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BU of 6q7k by Molmil
ERK2 mini-fragment binding
Descriptor: 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
Deposit date:2018-12-13
Release date:2019-03-27
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6QAJ
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BU of 6qaj by Molmil
Structure of the tripartite motif of KAP1/TRIM28
Descriptor: Endolysin,Transcription intermediary factor 1-beta, ZINC ION
Authors:Stoll, G.A, Oda, S, Yu, M, Modis, Y.
Deposit date:2018-12-19
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structure of KAP1 tripartite motif identifies molecular interfaces required for retroelement silencing.
Proc.Natl.Acad.Sci.USA, 116, 2019
3IQG
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BU of 3iqg by Molmil
Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide MNWNI
Descriptor: Cysteine synthase, MNWNI
Authors:Roderick, S.L.
Deposit date:2009-08-20
Release date:2009-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of o-acetylserine sulfhydrylase inhibitors by mimicking nature.
J.Med.Chem., 53, 2010
3IW5
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BU of 3iw5 by Molmil
Human p38 MAP Kinase in Complex with an Indole Derivative
Descriptor: Mitogen-activated protein kinase 14, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, octyl beta-D-glucopyranoside
Authors:Gruetter, C, Simard, J.R, Rauh, D.
Deposit date:2009-09-02
Release date:2009-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha
J.Am.Chem.Soc., 131, 2009
5U8R
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BU of 5u8r by Molmil
Structure of the ectodomain of the human Type 1 insulin-like growth factor receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-MALATE, ...
Authors:Lawrence, M, Xu, Y.
Deposit date:2016-12-14
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.00001621 Å)
Cite:How ligand binds to the type 1 insulin-like growth factor receptor.
Nat Commun, 9, 2018
6QA3
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BU of 6qa3 by Molmil
ERK2 mini-fragment binding
Descriptor: Mitogen-activated protein kinase 1, PYRAZOLE, SULFATE ION
Authors:O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
Deposit date:2018-12-18
Release date:2019-06-26
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
3I6W
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BU of 3i6w by Molmil
Structure and Activation Mechanism of the CHK2 DNA-Damage Checkpoint Kinase
Descriptor: Serine/threonine-protein kinase Chk2
Authors:Pavletich, N.P.
Deposit date:2009-07-07
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure and activation mechanism of the CHK2 DNA damage checkpoint kinase.
Mol.Cell, 35, 2009
3A5R
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BU of 3a5r by Molmil
Benzalacetone synthase from Rheum palmatum complexed with 4-coumaroyl-primed monoketide intermediate
Descriptor: 4'-HYDROXYCINNAMIC ACID, Benzalacetone synthase
Authors:Morita, H, Kato, R, Abe, I, Sugio, S, Kohno, T.
Deposit date:2009-08-10
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A structure-based mechanism for benzalacetone synthase from Rheum palmatum
Proc.Natl.Acad.Sci.USA, 107, 2010

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