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3OY3
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BU of 3oy3 by Molmil
Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589
Descriptor: 5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide, Tyrosine-protein kinase ABL1
Authors:Zhou, T, Commodore, L, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X.
Deposit date:2010-09-22
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
3OXZ
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BU of 3oxz by Molmil
Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534
Descriptor: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Tyrosine-protein kinase ABL1
Authors:Zhou, T, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X.
Deposit date:2010-09-22
Release date:2010-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
3R06
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BU of 3r06 by Molmil
Crystal structure of anti-mouse CD3epsilon antibody 2C11 Fab fragment
Descriptor: anti-mouse CD3epsilon antibody 2C11 Fab heavy chain, anti-mouse CD3epsilon antibody 2C11 Fab light chain
Authors:Shore, D.A, Zhu, X, Wilson, I.A.
Deposit date:2011-03-07
Release date:2012-01-25
Last modified:2013-09-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:T cell receptors are structures capable of initiating signaling in the absence of large conformational rearrangements.
J.Biol.Chem., 287, 2012
3R08
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BU of 3r08 by Molmil
Crystal structure of mouse cd3epsilon in complex with antibody 2C11 Fab
Descriptor: Mouse anti-mouse CD3epsilon antibody 2C11 heavy chain, Mouse anti-mouse CD3epsilon antibody 2C11 light chain, T-cell surface glycoprotein CD3 epsilon chain
Authors:Shore, D.A, Zhu, X, Wilson, I.A.
Deposit date:2011-03-07
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:T cell receptors are structures capable of initiating signaling in the absence of large conformational rearrangements.
J.Biol.Chem., 287, 2012
7YE6
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BU of 7ye6 by Molmil
BAM-EspP complex structure with BamA-N427C/EspP-R1297C mutations in nanodisc
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Shen, C, Chang, S, Luo, Q, Zhang, Z, Luo, B, Lu, G, Zhu, X, Wei, X, Dong, C, Zhang, X, Tang, X, Dong, H.
Deposit date:2022-07-05
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of BAM-mediated outer membrane beta-barrel protein assembly.
Nature, 617, 2023
7YE4
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BU of 7ye4 by Molmil
BAM-EspP complex structure with BamA-G431C and G781C/EspP-N1293C and A1043C mutations in nanodisc
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Shen, C, Chang, S, Luo, Q, Zhang, Z, Luo, B, Lu, G, Zhu, X, Wei, X, Dong, C, Zhang, X, Tang, X, Dong, H.
Deposit date:2022-07-05
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of BAM-mediated outer membrane beta-barrel protein assembly.
Nature, 617, 2023
6CVM
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BU of 6cvm by Molmil
Atomic resolution cryo-EM structure of beta-galactosidase
Descriptor: 2-phenylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, MAGNESIUM ION, ...
Authors:Subramaniam, S, Bartesaghi, A, Banerjee, S, Zhu, X, Milne, J.L.S.
Deposit date:2018-03-28
Release date:2018-05-30
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:Atomic Resolution Cryo-EM Structure of beta-Galactosidase.
Structure, 26, 2018
4XQU
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BU of 4xqu by Molmil
Crystal structure of hemagglutinin from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 3'-SLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ...
Authors:Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A.
Deposit date:2015-01-20
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors.
Cell Host Microbe, 17, 2015
5JQG
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BU of 5jqg by Molmil
An apo tubulin-RB-TTL complex structure used for side-by-side comparison
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Wang, Y.X, Naismith, J.H, Zhu, X.
Deposit date:2016-05-04
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Pironetin reacts covalently with cysteine-316 of alpha-tubulin to destabilize microtubule
Nat Commun, 7, 2016
5U36
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BU of 5u36 by Molmil
Crystal Structure Of A Mutant M. Jannashii Tyrosyl-tRNA Synthetase
Descriptor: Tyrosine--tRNA ligase
Authors:Luo, X, Fu, G, Zhu, X, Wilson, I.A, Wang, F.
Deposit date:2016-12-01
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Genetically encoding phosphotyrosine and its nonhydrolyzable analog in bacteria.
Nat. Chem. Biol., 13, 2017
1BUD
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BU of 1bud by Molmil
ACUTOLYSIN A FROM SNAKE VENOM OF AGKISTRODON ACUTUS AT PH 5.0
Descriptor: CALCIUM ION, PROTEIN (ACUTOLYSIN A), ZINC ION
Authors:Gong, W, Zhu, X, Liu, S, Teng, M, Niu, L.
Deposit date:1998-09-03
Release date:1999-09-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of acutolysin A, a three-disulfide hemorrhagic zinc metalloproteinase from the snake venom of Agkistrodon acutus.
J.Mol.Biol., 283, 1998
1BSW
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BU of 1bsw by Molmil
ACUTOLYSIN A FROM SNAKE VENOM OF AGKISTRODON ACUTUS AT PH 7.5
Descriptor: CALCIUM ION, PROTEIN (ACUTOLYSIN A), ZINC ION
Authors:Gong, W, Zhu, X, Liu, S, Teng, M, Niu, L.
Deposit date:1998-08-31
Release date:1999-08-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structures of acutolysin A, a three-disulfide hemorrhagic zinc metalloproteinase from the snake venom of Agkistrodon acutus.
J.Mol.Biol., 283, 1998
4I9H
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BU of 4i9h by Molmil
Crystal structure of rabbit LDHA in complex with AP28669
Descriptor: 1-O-[3-(5-carboxypyridin-2-yl)-5-fluorophenyl]-6-O-[4-({[(5-carboxypyridin-2-yl)sulfanyl]acetyl}amino)-2-chloro-5-methoxyphenyl]-D-mannitol, L-lactate dehydrogenase A chain
Authors:Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C.
Deposit date:2012-12-05
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I8X
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BU of 4i8x by Molmil
Crystal structure of rabbit LDHA in complex with AP27460
Descriptor: 6-phenylpyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
Authors:Zhou, T, Stephan, Z.G, Kohlmann, A, Li, F, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
Deposit date:2012-12-04
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I9N
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BU of 4i9n by Molmil
Crystal structure of rabbit LDHA in complex with AP28161 and AP28122
Descriptor: 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
Authors:Zhou, T, Kohlmann, A, Stephan, Z.G, Li, F, Commodore, L, Greenfield, M.T, Shakespeare, W.C, Zhu, X, Dalgarno, D.C.
Deposit date:2012-12-05
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
4I9U
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BU of 4i9u by Molmil
Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256
Descriptor: 6-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, L-lactate dehydrogenase A chain
Authors:Zhou, T, Kohlmann, A, Stephan, Z.G, Commodore, L, Greenfield, M.T, Zhu, X, Dalgarno, D.C.
Deposit date:2012-12-05
Release date:2013-01-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
J.Med.Chem., 56, 2013
6X1Q
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BU of 6x1q by Molmil
1.8 Angstrom resolution structure of b-galactosidase with a 200 kV cryoARM electron microscope
Descriptor: Beta-galactosidase, MAGNESIUM ION, SODIUM ION
Authors:Merk, A, Fukumura, T, Zhu, X, Darling, J, Grisshammer, R, Ognjenovic, J, Subramaniam, S.
Deposit date:2020-05-19
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (1.8 Å)
Cite:1.8 angstrom resolution structure of beta-galactosidase with a 200 kV CRYO ARM electron microscope.
Iucrj, 7, 2020
6XKQ
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BU of 6xkq by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-250
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-250 Heavy Chain, CV07-250 Light Chain, ...
Authors:Yuan, M, Liu, H, Zhu, X, Wu, N.C, Wilson, I.A.
Deposit date:2020-06-26
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model.
Cell, 183, 2020
6XKP
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BU of 6xkp by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-270
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-270 Heavy Chain, CV07-270 Light Chain, ...
Authors:Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
Deposit date:2020-06-26
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model.
Cell, 183, 2020
7LK9
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BU of 7lk9 by Molmil
Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23 HC + COVD21-C8 LC
Descriptor: COV107-23 heavy chain, COVD21-C8 light chain
Authors:Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
Deposit date:2021-02-01
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
7LKA
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BU of 7lka by Molmil
Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23
Descriptor: ACETATE ION, COV107-23 heavy chain, COV107-23 light chain
Authors:Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
Deposit date:2021-02-02
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
7JMX
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BU of 7jmx by Molmil
Crystal structure of a SARS-CoV-2 cross-neutralizing antibody COVA1-16 Fab
Descriptor: ACETATE ION, COVA1-16 heavy chain, COVA1-16 light chain, ...
Authors:Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
Deposit date:2020-08-03
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Cross-Neutralization of a SARS-CoV-2 Antibody to a Functionally Conserved Site Is Mediated by Avidity.
Immunity, 53, 2020
7JMW
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BU of 7jmw by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with cross-neutralizing antibody COVA1-16 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ...
Authors:Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
Deposit date:2020-08-03
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Cross-Neutralization of a SARS-CoV-2 Antibody to a Functionally Conserved Site Is Mediated by Avidity.
Immunity, 53, 2020
7KN3
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BU of 7kn3 by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, S-B8 Fab heavy chain, ...
Authors:Liu, H, Zhu, X, Wilson, I.A.
Deposit date:2020-11-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago.
Adv Sci, 9, 2022
8V05
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BU of 8v05 by Molmil
Crystal structure of mouse PLD3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-3' exonuclease PLD3, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2023-11-17
Release date:2024-03-13
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural and mechanistic insights into disease-associated endolysosomal exonucleases PLD3 and PLD4.
Structure, 2024

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