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7M5T
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BU of 7m5t by Molmil
Solution NMR structure of de novo designed protein 0515
Descriptor: De novo designed protein 0515
Authors:Ramelot, T.A, Hao, J, Baker, D, Montelione, G.T.
Deposit date:2021-03-24
Release date:2021-12-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo protein design by deep network hallucination.
Nature, 600, 2021
7JYZ
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BU of 7jyz by Molmil
Solution NMR structure and dynamics of human Brd3 ET in complex with MLV IN CTD
Descriptor: Bromodomain-containing protein 3, Integrase
Authors:Aiyer, S, Liu, G, Swapna, G.V.T, Hao, J, Ma, L.C, Roth, M.J, Montelione, G.T.
Deposit date:2020-09-01
Release date:2021-06-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A common binding motif in the ET domain of BRD3 forms polymorphic structural interfaces with host and viral proteins.
Structure, 29, 2021
6BT5
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BU of 6bt5 by Molmil
Human mGlu8 Receptor complexed with L-AP4
Descriptor: (2S)-2-amino-4-phosphonobutanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 8
Authors:Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J.
Deposit date:2017-12-05
Release date:2018-02-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
6BSZ
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BU of 6bsz by Molmil
Human mGlu8 Receptor complexed with glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, Metabotropic glutamate receptor 8, ...
Authors:Schkeryantz, J.M, Chen, Q, Ho, J.D, Atwell, S, Zhang, A, Vargas, M.C, Wang, J, Monn, J.A, Hao, J.
Deposit date:2017-12-04
Release date:2018-02-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Determination of L-AP4-bound human mGlu8 receptor amino terminal domain structure and the molecular basis for L-AP4's group III mGlu receptor functional potency and selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
7YQD
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BU of 7yqd by Molmil
EM structure of human PA28gamma (wild-type)
Descriptor: Proteasome activator complex subunit 3
Authors:Chen, D.-D, Hao, J, Yun, C.-H.
Deposit date:2022-08-06
Release date:2022-09-21
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Atomic resolution Cryo-EM structure of human proteasome activator PA28 gamma.
Int.J.Biol.Macromol., 219, 2022
7YQC
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BU of 7yqc by Molmil
EM structure of human PA28gamma
Descriptor: Proteasome activator complex subunit 3
Authors:Chen, D.-D, Hao, J, Shen, C.-H, Yun, C.-H.
Deposit date:2022-08-06
Release date:2022-09-21
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Atomic resolution Cryo-EM structure of human proteasome activator PA28 gamma.
Int.J.Biol.Macromol., 219, 2022
5HXD
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BU of 5hxd by Molmil
Crystal structure of murein-tripeptide amidase MpaA from Escherichia coli O157
Descriptor: CACODYLATE ION, Protein MpaA, ZINC ION
Authors:Ma, Y, Bai, G, Zhang, X, Zhao, J, Yuan, Z, Kang, X, Li, Z, Mu, S, Liu, X.
Deposit date:2016-01-30
Release date:2017-02-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Murein-Tripeptide Amidase MpaA from Escherichia coli O157 at 2.6 angstrom Resolution
Protein Pept.Lett., 24, 2017
5I1M
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BU of 5i1m by Molmil
Yeast V-ATPase average of densities, a subunit segment
Descriptor: V-type proton ATPase subunit a, vacuolar isoform
Authors:Schep, D.G, Zhao, J, Rubinstein, J.L.
Deposit date:2016-02-05
Release date:2016-03-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Models for the a subunits of the Thermus thermophilus V/A-ATPase and Saccharomyces cerevisiae V-ATPase enzymes by cryo-EM and evolutionary covariance.
Proc.Natl.Acad.Sci.USA, 113, 2016
7W33
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BU of 7w33 by Molmil
The crystal structure of human CtsL in complex with 14a
Descriptor: N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2R,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L
Authors:Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z.
Deposit date:2021-11-25
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:The crystal structure of human CtsL in complex with 14a
To Be Published
7W34
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BU of 7w34 by Molmil
The crystal structure of human CtsL in complex with 14b
Descriptor: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L
Authors:Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z.
Deposit date:2021-11-25
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The crystal structure of human CtsL in complex with 14a
To Be Published
7W7O
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BU of 7w7o by Molmil
The crystal structure of human Calpain-1 protease core in complex with 14a
Descriptor: CALCIUM ION, Calpain-1 catalytic subunit, HYDROSULFURIC ACID, ...
Authors:Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
Deposit date:2021-12-06
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:The crystal structure of human Calpain-1 protease core in complex with 14a
To Be Published
7X79
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BU of 7x79 by Molmil
The crystal structure of human Calpain-1 protease core in complex with 14b
Descriptor: CALCIUM ION, Calpain-1 catalytic subunit, HYDROSULFURIC ACID, ...
Authors:Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
Deposit date:2022-03-09
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of human Calpain-1 protease core in complex with 14a
To Be Published
8GX3
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BU of 8gx3 by Molmil
The crystal structure of human Calpain-1 protease core in complex with 14c
Descriptor: CALCIUM ION, Calpain-1 catalytic subunit, N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide
Authors:Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
Deposit date:2022-09-18
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The crystal structure of human Calpain-1 protease core in complex with 14c
To Be Published
8GXI
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BU of 8gxi by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with 14c
Descriptor: 3C-like proteinase nsp5, N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide
Authors:Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
Deposit date:2022-09-20
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The crystal structure of SARS-CoV-2 main protease in complex with 14c
To Be Published
8GX2
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BU of 8gx2 by Molmil
The crystal structure of human CtsL in complex with 14c
Descriptor: DIMETHYL SULFOXIDE, N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L
Authors:Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z.
Deposit date:2022-09-18
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of human CtsL in complex with 14a
To Be Published
8GXG
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BU of 8gxg by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with 14a
Descriptor: 3C-like proteinase nsp5, N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
Authors:Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
Deposit date:2022-09-20
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The crystal structure of SARS-CoV-2 main protease in complex with 14a
To Be Published
8GXH
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BU of 8gxh by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with 14b
Descriptor: 3C-like proteinase nsp5, N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
Authors:Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
Deposit date:2022-09-20
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:The crystal structure of SARS-CoV-2 main protease in complex with 14b
To Be Published
6P05
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BU of 6p05 by Molmil
Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with compound 27
Descriptor: Bromodomain-containing protein 4, GLYCEROL, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
Authors:Ratia, K.M, Xiong, R, Li, Y, Zhao, J, Gutgesell, L.M, Shen, Z, Dye, K, Dubrovyskyii, O, Zhao, H, Huang, F, Tonetti, D.A, Thatcher, G.R.
Deposit date:2019-05-16
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.
J.Med.Chem., 63, 2020
6QRZ
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BU of 6qrz by Molmil
Crystal structure of R2-like ligand-binding oxidase from Sulfolobus acidocaldarius solved by 3D micro-crystal electron diffraction
Descriptor: FE (III) ION, MANGANESE (III) ION, Ribonucleoside-diphosphate reductase
Authors:Xu, H, Lebrette, H, Clabbers, M.T.B, Zhao, J, Griese, J.J, Zou, X, Hogbom, M.
Deposit date:2019-02-20
Release date:2019-04-24
Last modified:2024-05-15
Method:ELECTRON CRYSTALLOGRAPHY (3 Å)
Cite:Solving a new R2lox protein structure by microcrystal electron diffraction.
Sci Adv, 5, 2019
6XBU
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BU of 6xbu by Molmil
polymerase domain of polymerase-theta
Descriptor: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(P*GP*TP*CP*AP*TP*TP*G)-3'), DNA polymerase theta, ...
Authors:Chen, X, Pomerantz, R, Zhao, J.
Deposit date:2020-06-07
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Pol theta reverse transcribes RNA and promotes RNA-templated DNA repair.
Sci Adv, 7, 2021
8DZF
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BU of 8dzf by Molmil
Cryo-EM structure of bundle-forming pilus extension ATPase from E.coli in the presence of AMP-PNP (class-2)
Descriptor: BfpD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ZINC ION
Authors:Nayak, A.R, Zhao, J, Donnenberg, M.S, Samso, M.
Deposit date:2022-08-07
Release date:2022-10-26
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:Cryo-EM Structure of the Type IV Pilus Extension ATPase from Enteropathogenic Escherichia coli.
Mbio, 13, 2022
8DZE
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BU of 8dze by Molmil
Cryo-EM structure of bundle-forming pilus extension ATPase from E. coli in the presence of AMP-PNP (class-1)
Descriptor: BfpD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ZINC ION
Authors:Nayak, A.R, Zhao, J, Donnenberg, M.S, Samso, M.
Deposit date:2022-08-07
Release date:2022-10-26
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Cryo-EM Structure of the Type IV Pilus Extension ATPase from Enteropathogenic Escherichia coli.
Mbio, 13, 2022
8DZG
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BU of 8dzg by Molmil
Cryo-EM structure of bundle-forming pilus extension ATPase from E.coli in the presence of ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BfpD, MAGNESIUM ION, ...
Authors:Nayak, A.R, Zhao, J, Donnenberg, M.S, Samso, M.
Deposit date:2022-08-07
Release date:2022-10-26
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM Structure of the Type IV Pilus Extension ATPase from Enteropathogenic Escherichia coli.
Mbio, 13, 2022
1MO0
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BU of 1mo0 by Molmil
Structural Genomics Of Caenorhabditis Elegans: Triose Phosphate Isomerase
Descriptor: ACETATE ION, SULFATE ION, Triosephosphate isomerase
Authors:Symersky, J, Li, S, Finley, J, Liu, Z.-J, Qui, H, Luan, C.H, Carson, M, Tsao, J, Johnson, D, Lin, G, Zhao, J, Thomas, W, Nagy, L.A, Sha, B, DeLucas, L.J, Wang, B.-C, Luo, M, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2002-09-06
Release date:2002-09-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural genomics of Caenorhabditis elegans: triosephosphate isomerase
Proteins, 51, 2003
7RUH
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BU of 7ruh by Molmil
Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844
Descriptor: Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide
Authors:Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R.
Deposit date:2021-08-17
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844
To Be Published

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