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PDB: 964 results

6KE4
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BU of 6ke4 by Molmil
ABloop reengineered Ferritin Nanocage
Descriptor: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Wang, W.M, Wang, H.F.
Deposit date:2019-07-03
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:AB loop engineered ferritin nanocages for drug loading under benign experimental conditions.
Chem.Commun.(Camb.), 55, 2019
3QFI
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BU of 3qfi by Molmil
X-ray crystal structure of transcriptional regulator (EF0465) from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR190
Descriptor: Transcriptional regulator
Authors:Forouhar, F, Neely, H, Seetharaman, J, Wang, H, Ciccosanti, C, Mao, L, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hun, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-01-21
Release date:2011-03-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:X-ray crystal structure of transcriptional regulator (EF0465) from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR190
To be Published
3UDN
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BU of 3udn by Molmil
Crystal Structure of BACE with Compound 9
Descriptor: 1,2-ETHANEDIOL, 4-cyanobenzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ...
Authors:Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
Deposit date:2011-10-28
Release date:2012-04-18
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.193 Å)
Cite:Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
7CXM
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BU of 7cxm by Molmil
Architecture of a SARS-CoV-2 mini replication and transcription complex
Descriptor: Helicase, Non-structural protein 7, Non-structural protein 8, ...
Authors:Yan, L, Zhang, Y, Ge, J, Zheng, L, Gao, Y, Wang, T, Jia, Z, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z.
Deposit date:2020-09-02
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Architecture of a SARS-CoV-2 mini replication and transcription complex.
Nat Commun, 11, 2020
7DIE
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BU of 7die by Molmil
Crystal structure of M. penetrans Ferritin
Descriptor: FE (III) ION, Ferritin
Authors:Wang, w.m, Zhang, y, Wang, h.f.
Deposit date:2020-11-19
Release date:2021-05-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ferritin with Atypical Ferroxidase Centers Takes B-Channels as the Pathway for Fe 2+ Uptake from Mycoplasma .
Inorg.Chem., 60, 2021
7DHJ
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BU of 7dhj by Molmil
The co-crystal structure of SARS-CoV-2 main protease with the peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pent-4-ynamide
Descriptor: (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide, 3C-like proteinase
Authors:Shang, L.Q, Wang, H, Deng, W.L, Xing, S, Wang, Y.X.
Deposit date:2020-11-15
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
5ZHZ
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BU of 5zhz by Molmil
Crystal structure of the apurinic/apyrimidinic endonuclease IV from Mycobacterium tuberculosis
Descriptor: Probable endonuclease 4, SULFATE ION, ZINC ION
Authors:Zhang, W, Xu, Y, Yan, M, Li, S, Wang, H, Yang, H, Zhou, W, Rao, Z.
Deposit date:2018-03-13
Release date:2018-04-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Crystal structure of the apurinic/apyrimidinic endonuclease IV from Mycobacterium tuberculosis.
Biochem. Biophys. Res. Commun., 498, 2018
7CYQ
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BU of 7cyq by Molmil
Cryo-EM structure of an extended SARS-CoV-2 replication and transcription complex reveals an intermediate state in cap synthesis
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Helicase, MAGNESIUM ION, ...
Authors:Yan, L, Ge, J, Zheng, L, Zhang, Y, Gao, Y, Wang, T, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z.
Deposit date:2020-09-04
Release date:2020-12-09
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Cryo-EM Structure of an Extended SARS-CoV-2 Replication and Transcription Complex Reveals an Intermediate State in Cap Synthesis.
Cell, 184, 2021
7CXN
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BU of 7cxn by Molmil
Architecture of a SARS-CoV-2 mini replication and transcription complex
Descriptor: Helicase, Non-structural protein 7, Non-structural protein 8, ...
Authors:Yan, L, Zhang, Y, Ge, J, Zheng, L, Gao, Y, Wang, T, Jia, Z, Wang, H, Huang, Y, Li, M, Wang, Q, Rao, Z, Lou, Z.
Deposit date:2020-09-02
Release date:2020-11-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Architecture of a SARS-CoV-2 mini replication and transcription complex.
Nat Commun, 11, 2020
7HSC
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BU of 7hsc by Molmil
HIGH RESOLUTION SOLUTION STRUCTURE OF THE HEAT SHOCK COGNATE-70 KD SUBSTRATE BINDING DOMAIN OBTAINED BY MULTIDIMENSIONAL NMR TECHNIQUES
Descriptor: PROTEIN (HEAT SHOCK COGNATE 70 KD PROTEIN 1)
Authors:Morshauser, R.C, Hu, W, Wang, H, Pang, Y, Flynn, G.C, Zuiderweg, E.R.P.
Deposit date:1999-05-03
Release date:1999-05-10
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:High-resolution solution structure of the 18 kDa substrate-binding domain of the mammalian chaperone protein Hsc70.
J.Mol.Biol., 289, 1999
8HZW
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BU of 8hzw by Molmil
The NMR structure of noursinH11W peptide
Descriptor: noursinH11W
Authors:Yao, H, Li, Y, Zhang, T, Gao, J, Wang, H.
Deposit date:2023-01-09
Release date:2023-05-31
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Discovery and biosynthesis of tricyclic copper-binding ribosomal peptides containing histidine-to-butyrine crosslinks.
Nat Commun, 14, 2023
2ZM6
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BU of 2zm6 by Molmil
Crystal structure of the Thermus thermophilus 30S ribosomal subunit
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Kaminishi, T, Wang, H, Kawazoe, M, Ishii, R, Schluenzen, F, Hanawa-Suetsugu, K, Wilson, D.N, Nomura, M, Takemoto, C, Shirouzu, M, Fucini, P, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2008-04-11
Release date:2009-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the Thermus thermophilus 30S ribosomal subunit
To be Published
4U0X
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BU of 4u0x by Molmil
Structure of ADC-7 beta-lactamase in complex with boronic acid inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, ADC-7 beta-lactamase, PHOSPHATE ION
Authors:Powers, R.A, Wallar, B.J, Swanson, H.C.
Deposit date:2014-07-14
Release date:2014-11-19
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Biochemical and Structural Analysis of Inhibitors Targeting the ADC-7 Cephalosporinase of Acinetobacter baumannii.
Biochemistry, 53, 2014
2WOC
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BU of 2woc by Molmil
Crystal Structure of the dinitrogenase reductase-activating glycohydrolase (DRAG) from Rhodospirillum rubrum
Descriptor: ADP-RIBOSYL-[DINITROGEN REDUCTASE] GLYCOHYDROLASE, CHLORIDE ION, FORMIC ACID, ...
Authors:Berthold, C.L, Wang, H, Nordlund, S, Hogbom, M.
Deposit date:2009-07-23
Release date:2009-08-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of Adp-Ribosylation Removal Revealed by the Structure and Ligand Complexes of the Dimanganese Mono-Adp-Ribosylhydrolase Drag.
Proc.Natl.Acad.Sci.USA, 106, 2009
7DDO
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BU of 7ddo by Molmil
Cryo-EM structure of human ACE2 and GD/1/2019 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Niu, S, Wang, J, Wang, H.W, Qi, J.X, Wang, Q.H, Gao, G.F.
Deposit date:2020-10-29
Release date:2021-05-19
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular basis of cross-species ACE2 interactions with SARS-CoV-2-like viruses of pangolin origin.
Embo J., 40, 2021
7E6T
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BU of 7e6t by Molmil
Structural insights into the activation of human calcium-sensing receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CYCLOMETHYLTRYPTOPHAN, ...
Authors:Geng, Y, Chen, X.C, Wang, L, Cui, Q.Q, Ding, Z.Y, Han, L, Kou, Y.J, Zhang, W.Q, Wang, H.N, Jia, X.M, Dai, M, Shi, Z.Z, Li, Y.Y, Li, X.Y.
Deposit date:2021-02-24
Release date:2021-09-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into the activation of human calcium-sensing receptor.
Elife, 10, 2021
2QLK
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BU of 2qlk by Molmil
Adenovirus AD35 fibre head
Descriptor: Fiber, GLYCEROL
Authors:Liaw, Y.-C, Amiraslanov, I, Wang, H, Lieber, A.
Deposit date:2007-07-13
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Identification of CD46 binding sites within the adenovirus serotype 35 fiber knob
J.Virol., 81, 2007
7EG4
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BU of 7eg4 by Molmil
Cryo-EM structure of nauclefine-induced PDE3A-SLFN12 complex
Descriptor: MAGNESIUM ION, Parvine, Schlafen family member 12, ...
Authors:Liu, N, Chen, J, Wang, X.D, Wang, H.W.
Deposit date:2021-03-24
Release date:2021-09-29
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of PDE3A-SLFN12 complex and structure-based design for a potent apoptosis inducer of tumor cells.
Nat Commun, 12, 2021
7EG0
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BU of 7eg0 by Molmil
Cryo-EM structure of anagrelide-induced PDE3A-SLFN12 complex
Descriptor: 6,7-bis(chloranyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one, MAGNESIUM ION, Schlafen family member 12, ...
Authors:Liu, N, Chen, J, Wang, X.D, Wang, H.W.
Deposit date:2021-03-23
Release date:2021-09-29
Last modified:2022-05-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure of PDE3A-SLFN12 complex and structure-based design for a potent apoptosis inducer of tumor cells.
Nat Commun, 12, 2021
3UDJ
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BU of 3udj by Molmil
Crystal Structure of BACE with Compound 5
Descriptor: 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
Deposit date:2011-10-28
Release date:2012-04-18
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
3UDR
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BU of 3udr by Molmil
Crystal Structure of BACE with Compound 14
Descriptor: 1,2-ETHANEDIOL, 1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ...
Authors:Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J.
Deposit date:2011-10-28
Release date:2012-04-18
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
2Z1B
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BU of 2z1b by Molmil
Crystal Structure of 5-aminolevulinic acid dehydratase (ALAD) from Mus musculs
Descriptor: Delta-aminolevulinic acid dehydratase
Authors:Xie, Y, Wang, H, Kawazoe, M, Kishishita, S, Murayama, K, Takemoto, C, Terada, T, Shirozu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-05-08
Release date:2008-05-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structure of 5-aminolevulinic acid dehydratase (ALAD) from Mus musculs
To be Published
6KE2
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BU of 6ke2 by Molmil
ABloop reengineered Ferritin Nanocage
Descriptor: CALCIUM ION, CHLORIDE ION, FE (III) ION, ...
Authors:Wang, W.M, Wang, H.F.
Deposit date:2019-07-03
Release date:2019-10-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:AB loop engineered ferritin nanocages for drug loading under benign experimental conditions.
Chem.Commun.(Camb.), 55, 2019
2JVM
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BU of 2jvm by Molmil
Solution NMR structure of Rhodobacter sphaeroides protein RHOS4_26430. Northeast Structural Genomics Consortium target RhR95
Descriptor: Uncharacterized protein
Authors:Eletsky, A, Sukumaran, D, Zhang, Q, Parish, D, Xu, D, Wang, H, Janjua, H, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-09-21
Release date:2007-10-16
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution NMR Structure of Rhodobacter sphaeroides protein RHOS4_26430.
To be Published
3R6P
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BU of 3r6p by Molmil
Crystal structure of abscisic acid-bound PYL10
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL10
Authors:Sun, D.M, Wu, M.H, Wang, H.P, Zang, J.Y, Tian, C.L.
Deposit date:2011-03-22
Release date:2011-12-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of abscisic acid-bound PYL10
To be Published

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