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7U60
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BU of 7u60 by Molmil
Integrin alpha IIB beta3 complex with cRGDfV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP-DPN-VAL, ...
Authors:Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A.
Deposit date:2022-03-03
Release date:2022-08-17
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7TPD
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BU of 7tpd by Molmil
Integrin alpha IIB beta3 complex with EF5154
Descriptor: (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2022-01-25
Release date:2022-08-17
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7THO
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BU of 7tho by Molmil
Integrin alpha IIB beta3 complex with Eptifibatide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2022-01-11
Release date:2022-08-17
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7U9V
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BU of 7u9v by Molmil
Integrin alpha IIB beta3 complex with BMS4-1
Descriptor: (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 light chain, ...
Authors:Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2022-03-11
Release date:2022-08-17
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.25492167 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
3UAT
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BU of 3uat by Molmil
Guanylate Kinase Domains of the MAGUK Family Scaffold Proteins as Specific Phospho-Protein Binding Modules
Descriptor: Disks large homolog 1, phosphor-LGN peptide
Authors:Shang, Y, Zhu, J, Wen, W, Zhang, M.
Deposit date:2011-10-22
Release date:2011-12-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Guanylate kinase domains of the MAGUK family scaffold proteins as specific phospho-protein-binding modules
Embo J., 2011
7FBJ
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BU of 7fbj by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, ...
Authors:Zhu, J, Xu, T, Feng, B, Liu, J.
Deposit date:2021-07-11
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
7FBK
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BU of 7fbk by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, Spike protein S1
Authors:Zhu, J, Xu, T, Feng, B, Liu, J.
Deposit date:2021-07-11
Release date:2022-07-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
5OVB
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BU of 5ovb by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with DR46
Descriptor: Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-08-28
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
5OWM
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BU of 5owm by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with UT48
Descriptor: Bromodomain-containing protein 4, [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-09-01
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
5OWW
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BU of 5oww by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with UT22B
Descriptor: Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-09-04
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
4V7P
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BU of 4v7p by Molmil
Recognition of the amber stop codon by release factor RF1.
Descriptor: 16S rRNA (1504-MER), 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Korostelev, A, Zhu, J, Asahara, H, Noller, H.F.
Deposit date:2010-04-29
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Recognition of the amber UAG stop codon by release factor RF1.
Embo J., 29, 2010
4V63
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BU of 4v63 by Molmil
Structural basis for translation termination on the 70S ribosome.
Descriptor: 16S RRNA, 23S RRNA, 30S ribosomal protein S10, ...
Authors:Laurberg, M, Asahara, H, Korostelev, A, Zhu, J, Trakhanov, S, Noller, H.F.
Deposit date:2008-05-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.207 Å)
Cite:Structural basis for translation termination on the 70S ribosome
Nature, 454, 2008
4LS0
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BU of 4ls0 by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH01B0033
Descriptor: 2-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Zhu, L, Li, H, Ren, X, Zhu, J.
Deposit date:2013-07-21
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DHO1B0033
To be Published
5EGG
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BU of 5egg by Molmil
Crystal structure of human ubiquitin-conjugating enzyme UBCH5C
Descriptor: Ubiquitin-conjugating enzyme E2 D3
Authors:Zhu, L, Li, H, Wu, F, Zhu, J.
Deposit date:2015-10-27
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural analysis of recombinant human ubiquitin-conjugating enzyme UbcH5c
Acta Pharm Sin B, 7, 2017
4LS2
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BU of 4ls2 by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313
Descriptor: 2-[(E)-{2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Zhu, L, Li, H, Ren, X, Zhu, J.
Deposit date:2013-07-21
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A313
To be Published
4LS1
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BU of 4ls1 by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312
Descriptor: 2-[(E)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
Authors:Zhu, L, Li, H, Ren, X, Zhu, J.
Deposit date:2013-07-21
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A312
To be Published
3KO1
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BU of 3ko1 by Molmil
Cystal structure of thermosome from Acidianus tengchongensis strain S5
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperonin
Authors:Huo, Y, Zhang, K, Hu, Z, Wang, L, Zhai, Y, Zhou, Q, Lander, G, He, Y, Zhu, J, Xu, W, Dong, Z, Sun, F.
Deposit date:2009-11-12
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Crystal structure of group II chaperonin in the open state.
Structure, 18, 2010
2FQO
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BU of 2fqo by Molmil
Crystal structure of B. subtilis LuxS in complex with (2S)-2-Amino-4-[(2R,3R)-2,3-dihydroxy-3-N- hydroxycarbamoyl-propylmercapto]butyric acid
Descriptor: (2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID, COBALT (II) ION, S-ribosylhomocysteine lyase, ...
Authors:Shen, G, Rajan, R, Zhu, J, Bell, C.E, Pei, D.
Deposit date:2006-01-18
Release date:2006-05-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Design and Synthesis of Substrate and Intermediate Analogue Inhibitors of S-Ribosylhomocysteinase
J.Med.Chem., 49, 2006
2FQT
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BU of 2fqt by Molmil
Crystal structure of B.subtilis LuxS in complex with (2S)-2-Amino-4-[(2R,3S)-2,3-dihydroxy-3-N-hydroxycarbamoyl-propylmercapto]butyric acid
Descriptor: (2S)-2-AMINO-4-[(2R,3S)-2,3-DIHYDROXY-3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID, COBALT (II) ION, S-ribosylhomocysteine lyase, ...
Authors:Shen, G, Rajan, R, Zhu, J, Bell, C.E, Pei, D.
Deposit date:2006-01-18
Release date:2006-05-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Design and Synthesis of Substrate Analogue Inhibitors of S-Ribosylhomocysteinase (LuxS)
J.Med.Chem., 49, 2006
4V9N
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BU of 4v9n by Molmil
Crystal structure of the 70S ribosome bound with the Q253P mutant of release factor RF2.
Descriptor: 16S rRNA (1504-MER), 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Santos, N, Zhu, J, Donohue, J.P, Korostelev, A.A, Noller, H.F.
Deposit date:2013-04-26
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal Structure of the 70S Ribosome Bound with the Q253P Mutant Form of Release Factor RF2.
Structure, 21, 2013
4WBE
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BU of 4wbe by Molmil
Crystal structure of the HR-1 domain of human caprin-1 in the C121 space group
Descriptor: Caprin-1
Authors:Wu, Y, Zhu, J, Huang, X, Du, Z.
Deposit date:2014-09-03
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the HR-1 domain of human caprin-1 in the C121 space group
To be published
4WBP
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BU of 4wbp by Molmil
Crystal structure of the HR-1 domain of human caprin-1 in the P3121 space group
Descriptor: Caprin-1
Authors:Wu, Y, Zhu, J, Huang, X, Du, Z.
Deposit date:2014-09-03
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the HR-1 domain of human caprin-1 in the P3121 space group
To be published
6KOE
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BU of 6koe by Molmil
X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis
Descriptor: 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ...
Authors:Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J.
Deposit date:2019-08-09
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.75 Å)
Cite:Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KOC
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BU of 6koc by Molmil
X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis complexed with 3-iodo-N-oxo-2-heptyl-4-hydroxyquinoline
Descriptor: 2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one, AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, ...
Authors:Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J.
Deposit date:2019-08-09
Release date:2020-01-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KOB
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BU of 6kob by Molmil
X-ray Structure of the proton-pumping cytochrome aa3-600 menaquinol oxidase from Bacillus subtilis
Descriptor: AA3-600 quinol oxidase subunit I, AA3-600 quinol oxidase subunit IIII, AA3-600 quinol oxidase subunit IV,Quinol oxidase subunit 4, ...
Authors:Xu, J, Ding, Z, Liu, B, Li, J, Gennis, R.B, Zhu, J.
Deposit date:2019-08-09
Release date:2020-01-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of the cytochromeaa3-600 heme-copper menaquinol oxidase bound to inhibitor HQNO shows TM0 is part of the quinol binding site.
Proc.Natl.Acad.Sci.USA, 117, 2020

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