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5B7M
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BU of 5b7m by Molmil
Structure of perdeuterated CueO - the signal peptide was truncated by HRV3C protease
Descriptor: Blue copper oxidase CueO, COPPER (II) ION
Authors:Akter, M, Higuchi, Y, Shibata, N.
Deposit date:2016-06-07
Release date:2016-10-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical, spectroscopic and X-ray structural analysis of deuterated multicopper oxidase CueO prepared from a new expression construct for neutron crystallography
Acta Crystallogr.,Sect.F, 72, 2016
7TQ7
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BU of 7tq7 by Molmil
Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 13c
Descriptor: N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide, Orf1a protein, TETRAETHYLENE GLYCOL
Authors:Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-02-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TQ6
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BU of 7tq6 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 13d
Descriptor: (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-02-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TQ5
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BU of 7tq5 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 10d
Descriptor: (1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-02-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TQ8
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BU of 7tq8 by Molmil
Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d
Descriptor: (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, Orf1a protein, ...
Authors:Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-03-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TQ4
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BU of 7tq4 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 6c
Descriptor: 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-06-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TQ2
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BU of 7tq2 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 1c
Descriptor: 3C-like proteinase, N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-06-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
7TQ3
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BU of 7tq3 by Molmil
Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 5c
Descriptor: 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
Deposit date:2022-01-26
Release date:2022-06-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
6ZQE
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BU of 6zqe by Molmil
Cryo-EM structure of the 90S pre-ribosome from Saccharomyces cerevisiae, state Dis-A (Poly-Ala)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Cheng, J, Lau, B, Venuta, G.L, Berninghausen, O, Hurt, E, Beckmann, R.
Deposit date:2020-07-09
Release date:2020-09-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:90 S pre-ribosome transformation into the primordial 40 S subunit.
Science, 369, 2020
6ZQD
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BU of 6zqd by Molmil
Cryo-EM structure of the 90S pre-ribosome from Saccharomyces cerevisiae, state Post-A1
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Cheng, J, Lau, B, Venuta, G.L, Berninghausen, O, Hurt, E, Beckmann, R.
Deposit date:2020-07-09
Release date:2020-09-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:90 S pre-ribosome transformation into the primordial 40 S subunit.
Science, 369, 2020
7D63
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BU of 7d63 by Molmil
Cryo-EM structure of 90S preribosome with inactive Utp24 (state C)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Du, Y, Zhang, J, An, W, Ye, K.
Deposit date:2020-09-29
Release date:2021-10-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (12.3 Å)
Cite:Cryo-EM structure of 90S preribosome with inactive Utp24 (state C)
To Be Published
7D4I
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BU of 7d4i by Molmil
Cryo-EM structure of 90S small ribosomal precursors complex with the DEAH-box RNA helicase Dhr1 (State F)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Du, Y, Zhang, J, An, W, Ye, K.
Deposit date:2020-09-24
Release date:2021-10-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cryo-EM structure of 90S small ribosomal precursors complex with Dhr1
To Be Published
7D5T
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BU of 7d5t by Molmil
Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Du, Y, Zhang, J, An, W, Ye, K.
Deposit date:2020-09-28
Release date:2021-10-06
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Cryo-EM structure of 90S preribosome with inactive Utp24 (state F1)
To Be Published
6ZQF
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BU of 6zqf by Molmil
Cryo-EM structure of the 90S pre-ribosome from Saccharomyces cerevisiae, state Dis-B (Poly-Ala)
Descriptor: 18S rRNA, 40S ribosomal protein S1-A, 40S ribosomal protein S11-A, ...
Authors:Cheng, J, Lau, B, Venuta, G.L, Berninghausen, O, Hurt, E, Beckmann, R.
Deposit date:2020-07-09
Release date:2020-09-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:90 S pre-ribosome transformation into the primordial 40 S subunit.
Science, 369, 2020
5DIY
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BU of 5diy by Molmil
Thermobaculum terrenum O-GlcNAc hydrolase mutant - D120N
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hyaluronidase, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Authors:Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F.
Deposit date:2015-09-01
Release date:2015-10-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
J.Biol.Chem., 290, 2015
5VTB
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BU of 5vtb by Molmil
Crystal structure of RBBP4 bound to BCL11a peptide
Descriptor: B-cell lymphoma/leukemia 11A, GLYCEROL, Histone-binding protein RBBP4
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2017-05-16
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Probing the interaction between the histone methyltransferase/deacetylase subunit RBBP4/7 and the transcription factor BCL11A in epigenetic complexes.
J. Biol. Chem., 293, 2018
8BVW
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BU of 8bvw by Molmil
RNA polymerase II pre-initiation complex with the distal +1 nucleosome (PIC-Nuc18W)
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Abril-Garrido, J, Dienemann, C, Grabbe, F, Velychko, T, Lidschreiber, M, Wang, H, Cramer, P.
Deposit date:2022-12-20
Release date:2023-05-03
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis of transcription reduction by a promoter-proximal +1 nucleosome.
Mol.Cell, 83, 2023
3TWJ
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BU of 3twj by Molmil
Rho-associated protein kinase 1 (ROCK 1) IN COMPLEX WITH RKI1447
Descriptor: 1,2-ETHANEDIOL, 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea, Rho-associated protein kinase 1
Authors:Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2011-09-21
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:RKI-1447 Is a Potent Inhibitor of the Rho-Associated ROCK Kinases with Anti-Invasive and Antitumor Activities in Breast Cancer.
Cancer Res., 72, 2012
2Y8I
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BU of 2y8i by Molmil
Structural basis for the allosteric interference of myosin function by mutants G680A and G680V of Dictyostelium myosin-2
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MYOSIN-2 HEAVY CHAIN
Authors:Preller, M, Bauer, S, Adamek, N, Fujita-Becker, S, Fedorov, R, Geeves, M.A, Manstein, D.J.
Deposit date:2011-02-07
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.132 Å)
Cite:Structural Basis for the Allosteric Interference of Myosin Function by Reactive Thiol Region Mutations G680A and G680V.
J.Biol.Chem., 286, 2011
2YGD
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BU of 2ygd by Molmil
Molecular architectures of the 24meric eye lens chaperone alphaB- crystallin elucidated by a triple hybrid approach
Descriptor: ALPHA-CRYSTALLIN B CHAIN
Authors:Braun, N, Zacharias, M, Peschek, J, Kastenmueller, A, Zou, J, Hanzlik, M, Haslbeck, M, Rappsilber, J, Buchner, J, Weinkauf, S.
Deposit date:2011-04-13
Release date:2011-12-07
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9.4 Å)
Cite:Multiple Molecular Architectures of the Eye Lens Chaperone Alpha Beta-Crystallin Elucidated by a Triple Hybrid Approach
Proc.Natl.Acad.Sci.USA, 108, 2011
3TRV
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BU of 3trv by Molmil
Crystal structure of quasiracemic villin headpiece subdomain containing (F5Phe17) substitution
Descriptor: D-Villin-1, ISOPROPYL ALCOHOL, L-Villin-1, ...
Authors:Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
Deposit date:2011-09-11
Release date:2012-01-25
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
3TRY
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BU of 3try by Molmil
Crystal structure of racemic villin headpiece subdomain in space group I-4c2
Descriptor: D-Villin-1, SULFATE ION
Authors:Mortenson, D.E, Satyshur, K.A, Gellman, S.H, Forest, K.T.
Deposit date:2011-09-11
Release date:2012-01-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Quasiracemic crystallization as a tool to assess the accommodation of noncanonical residues in nativelike protein conformations.
J.Am.Chem.Soc., 134, 2012
3TU9
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BU of 3tu9 by Molmil
Crystal structure of rabbit muscle aldolase bound with 5-O-methyl mannitol 1,6-phosphate
Descriptor: 2-O-methyl-1,6-di-O-phosphono-D-mannitol, Fructose-bisphosphate aldolase A
Authors:Arthus-Cartier, G, Sygusch, J.
Deposit date:2011-09-16
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Mannitol Bis-phosphate Based Inhibitors of Fructose 1,6-Bisphosphate Aldolases.
ACS Med Chem Lett, 2, 2011
3S9L
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BU of 3s9l by Molmil
Complex between transferrin receptor 1 and transferrin with iron in the N-Lobe, cryocooled 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBONATE ION, ...
Authors:Eckenroth, B.E, Steere, A.N, Mason, A.B, Everse, S.J.
Deposit date:2011-06-01
Release date:2011-08-10
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:How the binding of human transferrin primes the transferrin receptor potentiating iron release at endosomal pH.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SN9
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BU of 3sn9 by Molmil
Fic protein from NEISSERIA MENINGITIDIS mutant S182A/E186A in complex with AMPPNP
Descriptor: Cell filamentation protein Fic-related protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Goepfert, A, Stanger, F, Schirmer, T.
Deposit date:2011-06-29
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins.
Nature, 482, 2012

223532

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