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6NPZ
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BU of 6npz by Molmil
Crystal structure of Akt1 (aa 123-480) kinase with a bisubstrate
Descriptor: GLYCEROL, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ...
Authors:Chu, N, Cole, P.A, Gabelli, S.B.
Deposit date:2019-01-18
Release date:2019-01-30
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
6BUU
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BU of 6buu by Molmil
Crystal structure of AKT1 (aa 144-480) with a bisubstrate
Descriptor: GLY-ARG-PRO-ARG-THR-THR-ZXW-PHE-ALA-GLU, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ...
Authors:Chu, N, Gabelli, S.B, Cole, P.A.
Deposit date:2017-12-11
Release date:2018-08-22
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis.
Cell, 174, 2018
2WL8
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BU of 2wl8 by Molmil
X-ray crystal structure of Pex19p
Descriptor: PEROXISOMAL BIOGENESIS FACTOR 19
Authors:Schueller, N, Holton, S.J, Stanley, W.A, Song, Y.H, Konarev, P, Roessle, M, Erdmann, R, Schliebs, W, Wilmanns, M.
Deposit date:2009-06-22
Release date:2010-06-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Peroxisomal Receptor Pex19P Forms a Helical Mpts Recognition Domain.
Embo J., 29, 2010
1DFP
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BU of 1dfp by Molmil
FACTOR D INHIBITED BY DIISOPROPYL FLUOROPHOSPHATE
Descriptor: DIISOPROPYL PHOSPHONATE, FACTOR D
Authors:Cole, L.B, Chu, N, Kilpatrick, J.M, Volanakis, J.E, Narayana, S.V.L, Babu, Y.S.
Deposit date:1997-02-18
Release date:1998-02-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of diisopropyl fluorophosphate-inhibited factor D.
Acta Crystallogr.,Sect.D, 53, 1997
1DIC
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BU of 1dic by Molmil
STRUCTURE OF 3,4-DICHLOROISOCOUMARIN-INHIBITED FACTOR D
Descriptor: 3,4-DICHLOROISOCOUMARIN, FACTOR D, OXYGEN ATOM
Authors:Cole, L.B, Kilpatrick, J.M, Chu, N, Babu, Y.S.
Deposit date:1998-07-08
Release date:1999-07-22
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of 3,4-dichloroisocoumarin-inhibited factor D.
Acta Crystallogr.,Sect.D, 54, 1998
2W84
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BU of 2w84 by Molmil
Structure of Pex14 in complex with Pex5
Descriptor: PEROXISOMAL MEMBRANE PROTEIN PEX14, PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR
Authors:Neufeld, C, Filipp, F.V, Simon, B, Neuhaus, A, Schueller, N, David, C, Kooshapur, H, Madl, T, Erdmann, R, Schliebs, W, Wilmanns, M, Sattler, M.
Deposit date:2009-01-09
Release date:2009-02-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for competitive interactions of Pex14 with the import receptors Pex5 and Pex19.
EMBO J., 28, 2009
2W85
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BU of 2w85 by Molmil
Structure of Pex14 in complex with Pex19
Descriptor: PEROXIN-19, PEROXISOMAL MEMBRANE ANCHOR PROTEIN PEX14
Authors:Neufeld, C, Filipp, F.V, Simon, B, Neuhaus, A, Schueller, N, David, C, Kooshapur, H, Madl, T, Erdmann, R, Schliebs, W, Wilmanns, M, Sattler, M.
Deposit date:2009-01-09
Release date:2009-02-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for Competitive Interactions of Pex14 with the Import Receptors Pex5 and Pex19.
Embo J., 28, 2009
8Q4H
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BU of 8q4h by Molmil
a membrane-bound menaquinol:organohalide oxidoreductase complex RDH complex
Descriptor: (~{Z})-1,2-bis(chloranyl)ethene, CO-METHYLCOBALAMIN, IRON/SULFUR CLUSTER, ...
Authors:Dongchun, N, Ekundayo, B, Henning, S, Julien, M, Holliger, C, Cimmino, L.
Deposit date:2023-08-07
Release date:2023-10-18
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structure of a membrane-bound menaquinol:organohalide oxidoreductase.
Nat Commun, 14, 2023
7MYX
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BU of 7myx by Molmil
Crystal structure of the PH domain (R86A) of Akt1
Descriptor: RAC-alpha serine/threonine-protein kinase
Authors:Bae, H, Park, E, Cole, P.A, Eck, M.J.
Deposit date:2021-05-22
Release date:2022-11-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:PH domain-mediated autoinhibition and oncogenic activation of Akt.
Elife, 11, 2022
6NCT
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BU of 6nct by Molmil
Structure of p110alpha/niSH2 - vector data collection
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ...
Authors:Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B.
Deposit date:2018-12-12
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCK
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BU of 6nck by Molmil
Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM)
Descriptor: COPPER (II) ION, NICKEL (II) ION, Peptidyl-glycine alpha-amidating monooxygenase
Authors:Miller, M.S, Maheshwari, S, Gabelli, S.B.
Deposit date:2018-12-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCI
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BU of 6nci by Molmil
Crystal structure of CDP-Chase: Vector data collection
Descriptor: D-ribose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Miller, M.S, Shi, W, Gabelli, S.B.
Deposit date:2018-12-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCH
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BU of 6nch by Molmil
Crystal structure of CDP-Chase: Raster data collection
Descriptor: D-ribose, PHOSPHATE ION, Phosphohydrolase (MutT/nudix family protein), ...
Authors:Miller, M.S, Shi, W, Gabelli, S.B.
Deposit date:2018-12-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
3CMD
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BU of 3cmd by Molmil
Crystal structure of peptide deformylase from VRE-E.faecium
Descriptor: FE (III) ION, MALONATE ION, Peptide deformylase, ...
Authors:Hwang, K.Y, Nam, K.H.
Deposit date:2008-03-21
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Insight into the antibacterial drug design and architectural mechanism of peptide recognition from the E. faecium peptide deformylase structure.
Proteins, 74, 2009
8IG0
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BU of 8ig0 by Molmil
Crystal structure of menin in complex with DS-1594b
Descriptor: (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ...
Authors:Suzuki, M, Yoneyama, T, Imai, E.
Deposit date:2023-02-20
Release date:2023-03-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1.
Cancer Cell Int, 23, 2023
3LPJ
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BU of 3lpj by Molmil
Structure of BACE Bound to SCH743641
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide
Authors:Strickland, C, Cumming, J.
Deposit date:2010-02-05
Release date:2010-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
7ZSD
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BU of 7zsd by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, local
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-06
Release date:2023-03-01
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7ZSS
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BU of 7zss by Molmil
cryo-EM structure of D614 spike in complex with de novo designed binder
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-08
Release date:2023-03-01
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.63 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
7ZRV
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BU of 7zrv by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, full map
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, ...
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-05
Release date:2023-03-08
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
6Z0P
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BU of 6z0p by Molmil
BceF Tyrosine Kinase Domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BceF
Authors:Landau, M, Mayer, M, Abd Alhadi, M, Dvir, H.
Deposit date:2020-05-10
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Functional Insights into the Biofilm-Associated BceF Tyrosine Kinase Domain from Burkholderia cepacia .
Biomolecules, 11, 2021
4R92
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BU of 4r92 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(isonicotinamido)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
Descriptor: Beta-secretase 1, L(+)-TARTARIC ACID, N-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]pyridine-4-carboxamide
Authors:Orth, P, Strickland, C, Caldwell, J.P.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R8Y
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BU of 4r8y by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((R)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
Descriptor: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(3R)-1-(cyclopentylacetyl)pyrrolidin-3-yl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P, Caldwell, J.P, Strickland, C.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4R93
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BU of 4r93 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-1-methyl-5-oxo-4-(((1S,3R)-3-(3-phenylureido)cyclohexyl)methyl)imidazolidin-2-iminium
Descriptor: 1-[(1R,3S)-3-{[(2E,4R)-4-(2-cyclohexylethyl)-2-imino-1-methyl-5-oxoimidazolidin-4-yl]methyl}cyclohexyl]-3-phenylurea, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P, Strickland, C, Caldwell, J.P.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6RUP
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BU of 6rup by Molmil
Human mitochondrial single-stranded DNA binding protein, SSBP1, at 2.1 A resolution - elucidated sequence
Descriptor: MAGNESIUM ION, SER-SER-SER-SER, Single-stranded DNA-binding protein, ...
Authors:Tarres-Sole, A, Chakraborty, A, Spelbrink, H.N, Delettre, C, Sola, M.
Deposit date:2019-05-28
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dominant mutations in mtDNA maintenance gene SSBP1 cause optic atrophy and foveopathy.
J.Clin.Invest., 130, 2020
4R91
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BU of 4r91 by Molmil
BACE-1 in complex with (R)-4-(2-cyclohexylethyl)-4-(((1S,3R)-3-(cyclopentylamino)cyclohexyl)methyl)-1-methyl-5-oxoimidazolidin-2-iminium
Descriptor: (2E,5R)-5-(2-cyclohexylethyl)-5-{[(1S,3R)-3-(cyclopentylamino)cyclohexyl]methyl}-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Orth, P, Caldwell, J.P, Strickland, C.
Deposit date:2014-09-03
Release date:2014-11-05
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of potent iminoheterocycle BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014

 

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