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8TOT
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BU of 8tot by Molmil
ACE2-peptide2 complex crystal form 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Christie, M, Payne, R.J.
Deposit date:2023-08-03
Release date:2024-02-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
8TOU
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BU of 8tou by Molmil
ACE2-peptide 2 complex crystal form 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Franck, C, Payne, R.J, Christie, M.
Deposit date:2023-08-04
Release date:2024-02-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
1GH9
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BU of 1gh9 by Molmil
SOLUTION STRUCTURE OF A 8.3 KDA PROTEIN (GENE MTH1184) FROM METHANOBACTERIUM THERMOAUTOTROPHICUM
Descriptor: 8.3 KDA PROTEIN (GENE MTH1184)
Authors:Kozlov, G, Ekiel, I, Gehring, K, Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-11-30
Release date:2000-12-11
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structural proteomics of an archaeon.
Nat.Struct.Biol., 7, 2000
9EX7
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BU of 9ex7 by Molmil
Cryo-EM structure of the E. coli BrxX methyltransferase in complex with Ocr
Descriptor: Adenine-specific methyltransferase BrxX, MAGNESIUM ION, Protein Ocr, ...
Authors:Adams, M.C, Ghilarov, D.
Deposit date:2024-04-05
Release date:2025-03-05
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Molecular basis of foreign DNA recognition by BREX anti-phage immunity system.
Nat Commun, 16, 2025
6JDJ
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BU of 6jdj by Molmil
Crystal structure of AcrIIC2 dimer in complex with partial Nme1Cas9
Descriptor: AcrIIC2, CRISPR-associated endonuclease Cas9
Authors:Cheng, Z, Huang, X, Sun, W, Wang, Y.
Deposit date:2019-02-01
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
6JDX
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BU of 6jdx by Molmil
Crystal structure of AcrIIC2 dimer in complex with partial Nme1Cas9 preprocessed with protease alpha-Chymotrypsin
Descriptor: 1,2-ETHANEDIOL, AcrIIC2, CRISPR-associated endonuclease Cas9
Authors:Cheng, Z, Huang, X, Sun, W, Wang, Y.
Deposit date:2019-02-02
Release date:2019-05-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
6JD7
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BU of 6jd7 by Molmil
Crystal structure of anti-CRISPR protein AcrIIC2 dimer
Descriptor: ACETATE ION, AcrIIC2, MAGNESIUM ION
Authors:Cheng, Z, Huang, X, Sun, W, Wang, Y.L.
Deposit date:2019-01-31
Release date:2019-05-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Inhibition of CRISPR-Cas9 ribonucleoprotein complex assembly by anti-CRISPR AcrIIC2.
Nat Commun, 10, 2019
9EXH
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BU of 9exh by Molmil
Cryo-EM structure of the Apo E. coli BrxX methyltransferase
Descriptor: Adenine-specific methyltransferase BrxX
Authors:Adams, M.C, Ghilarov, D.
Deposit date:2024-04-08
Release date:2025-03-05
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Molecular basis of foreign DNA recognition by BREX anti-phage immunity system.
Nat Commun, 16, 2025
9EWZ
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BU of 9ewz by Molmil
Cryo-EM structure of the E. coli BrxX methyltransferase in complex with DNA
Descriptor: Adenine-specific methyltransferase BrxX, DNA (26-MER) with BREX binding site GGTAAG, MAGNESIUM ION, ...
Authors:Adams, M.C, Ghilarov, D.
Deposit date:2024-04-05
Release date:2025-03-05
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (2.22 Å)
Cite:Molecular basis of foreign DNA recognition by BREX anti-phage immunity system.
Nat Commun, 16, 2025
3WKN
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BU of 3wkn by Molmil
Crystal structure of the artificial protein AFFinger p17 (AF.p17) complexed with Fc fragment of human IgG
Descriptor: AFFinger p17, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Watanabe, H, Honda, S.
Deposit date:2013-10-29
Release date:2014-10-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Adaptive Assembly: Maximizing the Potential of a Given Functional Peptide with a Tailor-Made Protein Scaffold.
Chem.Biol., 22, 2015
7R7N
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BU of 7r7n by Molmil
SARS-CoV-2 spike in complex with the S2D106 neutralizing antibody Fab fragment (local refinement of the RBD and S2D106)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, S2D106 FAB heavy chain, S2D106 FAB light chain, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-06-25
Release date:2021-07-21
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
2M7B
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BU of 2m7b by Molmil
ORF PP_3909 from Pseudomonas putida KT2440 encoding a protein similar to bacteriophage lambda ea8.5
Descriptor: ZINC ION, uncharacterized protein
Authors:Donaldson, L.W.F.
Deposit date:2013-04-18
Release date:2013-06-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The Solution Structures of Two Prophage Homologues of the Bacteriophage lambda Ea8.5 Protein Reveal a Newly Discovered Hybrid Homeodomain/Zinc-Finger Fold.
Biochemistry, 52, 2013
2M7A
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BU of 2m7a by Molmil
Enteropathogenic Escherichia coli 0111:H- str. 11128 ORF EC0111_1119 similar to bacteriophage lambda ea8.5
Descriptor: Uncharacterized protein, ZINC ION
Authors:Donaldson, L.W.F.
Deposit date:2013-04-18
Release date:2013-06-12
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The Solution Structures of Two Prophage Homologues of the Bacteriophage lambda Ea8.5 Protein Reveal a Newly Discovered Hybrid Homeodomain/Zinc-Finger Fold.
Biochemistry, 52, 2013
2CTI
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BU of 2cti by Molmil
DETERMINATION OF THE COMPLETE THREE-DIMENSIONAL STRUCTURE OF THE TRYPSIN INHIBITOR FROM SQUASH SEEDS IN AQUEOUS SOLUTION BY NUCLEAR MAGNETIC RESONANCE AND A COMBINATION OF DISTANCE GEOMETRY AND DYNAMICAL SIMULATED ANNEALING
Descriptor: TRYPSIN INHIBITOR
Authors:Holak, T.A, Gondol, D, Otlewski, J, Wilusz, T.
Deposit date:1990-08-28
Release date:1992-01-15
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Determination of the complete three-dimensional structure of the trypsin inhibitor from squash seeds in aqueous solution by nuclear magnetic resonance and a combination of distance geometry and dynamical simulated annealing.
J.Mol.Biol., 210, 1989
5QCK
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BU of 5qck by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid
Descriptor: 1,2-ETHANEDIOL, 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid, Coagulation factor XI, ...
Authors:Sheriff, S.
Deposit date:2017-08-10
Release date:2017-11-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).
J. Med. Chem., 60, 2017
5VGB
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BU of 5vgb by Molmil
Crystal structure of NmeCas9 HNH domain bound to anti-CRISPR AcrIIC1
Descriptor: Anti-CRISPR protein (AcrIIC1), CRISPR-associated endonuclease Cas9, GLYCEROL, ...
Authors:Harrington, L.B, Doxzen, K.W, Ma, E, Knott, G.J, Kranzusch, P.J, Doudna, J.A.
Deposit date:2017-04-10
Release date:2017-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.497 Å)
Cite:A Broad-Spectrum Inhibitor of CRISPR-Cas9.
Cell, 170, 2017
7B5K
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BU of 7b5k by Molmil
E. coli 70S containing suppressor tRNA in the A-site stabilized by a Negamycin analogue and P-site tRNA-nascent chain.
Descriptor: 16S rRNA, 2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid, 23S rRNA, ...
Authors:Albers, S, Beckert, B, Matthies, M, Schuster, R, Riedner, M, Seuring, C, Sanyal, S, Torda, A, Wilson, N.D, Ignatova, Z.
Deposit date:2020-12-03
Release date:2021-05-26
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Harnessing evolutionarily flexibility in tRNAs to maximize nonsense suppression activities
Nat Commun, 2021
5H5O
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BU of 5h5o by Molmil
A cyclic-GMP-dependent signalling pathway regulates bacterial phytopathogenesis
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, Diguanylate cyclase
Authors:Chin, K.H, Chou, S.-H.
Deposit date:2016-11-08
Release date:2017-05-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.122 Å)
Cite:A cyclic GMP-dependent signalling pathway regulates bacterial phytopathogenesis
EMBO J., 32, 2013
7SHH
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BU of 7shh by Molmil
Bacterial cereblon homologue in complex with (R)-3-(4-methoxyphenyl)piperidine-2,6-dione
Descriptor: (3R)-3-(4-methoxyphenyl)piperidine-2,6-dione, Cereblon isoform 4, ZINC ION
Authors:Nithianantham, S, Fischer, M.
Deposit date:2021-10-08
Release date:2022-04-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Potent and Selective Janus Kinase 2/3 Directing PG-PROTACs.
Acs Med.Chem.Lett., 13, 2022
5EU9
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BU of 5eu9 by Molmil
Structure of Human Enolase 2 in complex with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid
Descriptor: ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid, Gamma-enolase, MAGNESIUM ION, ...
Authors:Leonard, P.G, Muller, F.L.
Deposit date:2015-11-18
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:SF2312, a natural phosphonate inhibitor of Enolase
To be Published
5IDZ
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BU of 5idz by Molmil
Structure of Human Enolase 2 in complex with (S)-(1-hydroxy-2-oxopiperidin-3-yl)phosphonate
Descriptor: Gamma-enolase, MAGNESIUM ION, TRIETHYLENE GLYCOL, ...
Authors:Leonard, P.G, Muller, F.L.
Deposit date:2016-02-24
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Pomhex, a cell-permeable Enolase inhibitor for Collateral Lethality targeting of ENO1-deleted Glioblastoma
To Be Published
7TO9
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BU of 7to9 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 2xAcK.4xE (diAcK.4xE)
Descriptor: 2xAcK.4xE (diAcK.4xE), Bromodomain-containing protein 3, GLYCEROL
Authors:Mackay, J.P, Low, J.K.K, Patel, K.
Deposit date:2022-01-23
Release date:2023-01-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TO8
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BU of 7to8 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 2xAcK.1 (diAcK.1)
Descriptor: 2xAcK.1 (diAcK.1), Bromodomain-containing protein 3, GLYCEROL
Authors:Patel, K, Low, J.K.K, Mackay, J.P.
Deposit date:2022-01-23
Release date:2023-01-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TOA
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BU of 7toa by Molmil
BRD3-BD1 in complex with RaPID linear peptide 3xAcK.1 (triAcK.1)
Descriptor: 3xAcK.1 (triAcK.1), Bromodomain-containing protein 3, GLYCEROL
Authors:Patel, K, Low, J.K.K, Mackay, J.P.
Deposit date:2022-01-23
Release date:2023-01-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023
7TO7
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BU of 7to7 by Molmil
BRD3-BD1 in complex with RaPID linear peptide 1xAcK.4XE (monoAcK.4xE)
Descriptor: 1xAcK.4xE (monoAcK.4xE), Bromodomain-containing protein 3, GLYCEROL
Authors:Mackay, J.P, Low, J.K.K, Patel, K.
Deposit date:2022-01-23
Release date:2023-01-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:mRNA display reveals a class of high-affinity bromodomain-binding motifs that are not found in the human proteome.
J.Biol.Chem., 299, 2023

238582

数据于2025-07-09公开中

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