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5ZVQ
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BU of 5zvq by Molmil
Crystal structure of recombination mediator protein RecR
Descriptor: CHLORIDE ION, Recombination protein RecR, ZINC ION
Authors:Chaudhary, S.K, Sekar, K, Jeyakanthan, J.
Deposit date:2018-05-12
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of recombination mediator protein RecR
To Be Published
5ZWU
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BU of 5zwu by Molmil
Crystal structure of recombination mediator protein RecF
Descriptor: DNA replication and repair protein RecF
Authors:Chaudhary, S.K, Sekar, K, Jeyakanthan, J.
Deposit date:2018-05-16
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure of recombination mediator protein RecF
To Be Published
1FG0
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BU of 1fg0 by Molmil
LARGE RIBOSOMAL SUBUNIT COMPLEXED WITH A 13 BP MINIHELIX-PUROMYCIN COMPOUND
Descriptor: 23S RIBOSOMAL RNA, 5'-R(CCGGCGGGCUGGUUCAAACCGGCCCGCCGGACC)-3'-5'-R(P-PUROMYCIN)-3'
Authors:Nissen, P, Hansen, J, Ban, N, Moore, P.B, Steitz, T.A.
Deposit date:2000-07-26
Release date:2000-08-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structural basis of ribosome activity in peptide bond synthesis.
Science, 289, 2000
1ORY
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BU of 1ory by Molmil
FLAGELLAR EXPORT CHAPERONE IN COMPLEX WITH ITS COGNATE BINDING PARTNER
Descriptor: Flagellin, PHOSPHATE ION, flagellar protein FliS
Authors:Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S.
Deposit date:2003-03-17
Release date:2003-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion
Nat.Struct.Biol., 10, 2003
5X8C
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BU of 5x8c by Molmil
AMPPCP and TMP bound crystal structure of thymidylate kinase from thermus thermophilus HB8
Descriptor: CHLORIDE ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-02
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
5X8J
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BU of 5x8j by Molmil
K16M mutant of thermus thermophilus HB8 thymidylate kinase
Descriptor: FORMIC ACID, Thymidylate kinase
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-03
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
2NAS
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BU of 2nas by Molmil
Solution structure of a PWWP doamin from Trypanosoma brucei
Descriptor: Uncharacterized protein
Authors:Wang, R, Liao, S, Dai, K, Zhang, J, Tu, X.
Deposit date:2016-01-10
Release date:2017-01-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Soluion Structure of a PWWP domain from Trypanosoma brucei
To be Published
7YGQ
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BU of 7ygq by Molmil
Crystal structure of SARS main protease in complex with inhibitor YH-53
Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J.
Deposit date:2022-07-12
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
2OIG
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BU of 2oig by Molmil
Crystal structure of RS21-C6 core segment and dm5CTP complex
Descriptor: 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), RS21-C6
Authors:Wu, B, Liu, Y, Zhao, Q, Liao, S, Zhang, J, Bartlam, M, Chen, W, Rao, Z.
Deposit date:2007-01-11
Release date:2007-03-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal Structure of RS21-C6, Involved in Nucleoside Triphosphate Pyrophosphohydrolysis
J.Mol.Biol., 367, 2007
7WQI
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BU of 7wqi by Molmil
Crystal structure of SARS coronavirus main protease in complex with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J.
Deposit date:2022-01-25
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal structure of SARS coronavirus main protease in complex with PF07304814
To Be Published
2OIE
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BU of 2oie by Molmil
Crystal structure of RS21-C6 core segment RSCUT
Descriptor: RS21-C6, SULFATE ION
Authors:Wu, B, Liu, Y, Zhao, Q, Liao, S, Zhang, J, Bartlam, M, Chen, W, Rao, Z.
Deposit date:2007-01-10
Release date:2007-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of RS21-C6, Involved in Nucleoside Triphosphate Pyrophosphohydrolysis
J.Mol.Biol., 367, 2007
5X99
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BU of 5x99 by Molmil
T18V mutant of thermus thermophilus HB8 thymidylate kinase
Descriptor: FORMIC ACID, MAGNESIUM ION, Thymidylate kinase
Authors:Chaudhary, S.K, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-06
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Acta Crystallogr D Struct Biol, 74, 2018
4K47
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BU of 4k47 by Molmil
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct
Descriptor: Leucine--tRNA ligase, SULFATE ION, [(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
Authors:Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D.
Deposit date:2013-04-12
Release date:2013-09-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
4K48
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BU of 4k48 by Molmil
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain
Descriptor: Leucine--tRNA ligase
Authors:Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D.
Deposit date:2013-04-12
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
4GT3
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BU of 4gt3 by Molmil
ATP-bound form of the ERK2 kinase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Pozharski, E, Zhang, J, Shapiro, P.
Deposit date:2012-08-28
Release date:2012-09-12
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:ATP-bound form of the ERK2 kinase
TO BE PUBLISHED
4H58
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BU of 4h58 by Molmil
BRAF in complex with compound 3
Descriptor: CHLORIDE ION, N-(4-{[(2-methoxyethyl)amino]methyl}phenyl)-6-(pyridin-4-yl)quinazolin-2-amine, Serine/threonine-protein kinase B-raf
Authors:Vasbinder, M, Aquila, B, Augustin, M, Chueng, T, Cook, D, Drew, L, Fauber, B, Glossop, S, Godin, R, Grondine, M, Hennessy, E, Johannes, J, Lee, S, Lyne, P, Moertl, M, Omer, C, Palakurthi, S, Pontz, T, Read, J, Sha, L, Shen, M, Steinbacher, S, Wang, H, Wu, A, Ye, M, Bagal, B.
Deposit date:2012-09-18
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Discovery and Optimization of a Novel Series of Potent Mutant B-Raf(V600E) Selective Kinase Inhibitors.
J.Med.Chem., 56, 2013
7Y72
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BU of 7y72 by Molmil
SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7 (focused refinement on Fab-RBD interface)
Descriptor: Fab E7 heavy chain, Fab E7 light chain, Spike glycoprotein
Authors:Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F.
Deposit date:2022-06-21
Release date:2023-08-02
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor.
Sci Adv, 9, 2023
7Y71
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BU of 7y71 by Molmil
SARS-CoV-2 spike glycoprotein trimer complexed with Fab fragment of anti-RBD antibody E7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab E7 heavy chain, ...
Authors:Chia, W.N, Tan, C.W, Tan, A.W.K, Young, B, Starr, T.N, Lopez, E, Fibriansah, G, Barr, J, Cheng, S, Yeoh, A.Y.Y, Yap, W.C, Lim, B.L, Ng, T.S, Sia, W.R, Zhu, F, Chen, S, Zhang, J, Greaney, A.J, Chen, M, Au, G.G, Paradkar, P, Peiris, M, Chung, A.W, Bloom, J.D, Lye, D, Lok, S.M, Wang, L.F.
Deposit date:2022-06-21
Release date:2023-08-02
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Potent pan huACE2-dependent sarbecovirus neutralizing monoclonal antibodies isolated from a BNT162b2-vaccinated SARS survivor.
Sci Adv, 9, 2023
7WQH
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BU of 7wqh by Molmil
Crystal structure of HCoV-NL63 main protease with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Zhong, F.L, Zhou, X.L, Lin, C, Zeng, P, Li, J, Zhang, J.
Deposit date:2022-01-25
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
4N19
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BU of 4n19 by Molmil
Structural basis of conformational transitions in the active site and 80 s loop in the FK506 binding protein FKBP12
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION
Authors:Mustafi, S.M, Brecher, M.B, Zhang, J, Li, H.M, Lemaster, D.M, Hernandez, G.
Deposit date:2013-10-03
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural basis of conformational transitions in the active site and 80's loop in the FK506-binding protein FKBP12.
Biochem.J., 458, 2014
7WQJ
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BU of 7wqj by Molmil
Crystal structure of MERS main protease in complex with PF07304814
Descriptor: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2022-01-25
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
7XRY
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BU of 7xry by Molmil
Crystal structure of MERS main protease in complex with inhibitor YH-53
Descriptor: N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a
Authors:Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
Deposit date:2022-05-12
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
7XRS
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BU of 7xrs by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with inhibitor YH-53
Descriptor: N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1a
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J.
Deposit date:2022-05-11
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
1N4K
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BU of 1n4k by Molmil
Crystal structure of the inositol 1,4,5-trisphosphate receptor binding core in complex with IP3
Descriptor: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1
Authors:Bosanac, I, Alattia, J.R, Mal, T.K, Chan, J, Talarico, S, Tong, F.K, Tong, K.I, Yoshikawa, F, Furuichi, T, Iwai, M, Michikawa, T, Mikoshiba, K, Ikura, M.
Deposit date:2002-10-31
Release date:2002-12-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the inositol 1,4,5-trisphosphate receptor binding core in complex with its ligand.
Nature, 420, 2002
2LTH
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BU of 2lth by Molmil
NMR structure of major ampullate spidroin 1 N-terminal domain at pH 5.5
Descriptor: Major ampullate spidroin 1
Authors:Otikovs, M, Jaudzems, K, Nordling, K, Landreh, M, Rising, A, Askarieh, G, Knight, S, Johansson, J.
Deposit date:2012-05-25
Release date:2013-11-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Sequential pH-driven dimerization and stabilization of the N-terminal domain enables rapid spider silk formation.
Nat Commun, 5, 2014

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數據於2024-09-18公開中

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