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6DQ8
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BU of 6dq8 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ6
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BU of 6dq6 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e. 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQA
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BU of 6dqa by Molmil
Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
Descriptor: 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ4
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BU of 6dq4 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
Descriptor: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.392 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ9
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BU of 6dq9 by Molmil
Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
Descriptor: 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ5
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BU of 6dq5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N43 i.e. 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: Linked KDM5A Jmj Domain, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
4LYR
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BU of 4lyr by Molmil
Glycoside Hydrolase Family 5 Mannosidase from Rhizomucor miehei, E301A mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Exo-beta-1,4-mannosidase
Authors:Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J.
Deposit date:2013-07-31
Release date:2014-08-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase.
Acta Crystallogr.,Sect.D, 70, 2014
4XZ0
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BU of 4xz0 by Molmil
ZAP-70-tSH2:compound-A complex
Descriptor: 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone, SULFATE ION, Tyrosine-protein kinase ZAP-70
Authors:Barros, T, Kuriyan, J, Visperas, P.R, Winger, J.A.
Deposit date:2015-02-03
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding.
Biochem. J., 465, 2015
4XZ1
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BU of 4xz1 by Molmil
ZAP-70-tSH2:Compound-B adduct
Descriptor: 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol, Tyrosine-protein kinase ZAP-70, doubly phosphorylated ITAM peptide
Authors:Barros, T, Kuriyan, J, Winger, J.A, Visperas, P.R.
Deposit date:2015-02-03
Release date:2015-07-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding.
Biochem. J., 465, 2015
4LYQ
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BU of 4lyq by Molmil
Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase from Rhizomucor miehei, E202A mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Exo-beta-1,4-mannosidase, ...
Authors:Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J.
Deposit date:2013-07-31
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase.
Acta Crystallogr.,Sect.D, 70, 2014
4LYP
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BU of 4lyp by Molmil
Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase from Rhizomucor miehei
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Exo-beta-1,4-mannosidase, GUANIDINE
Authors:Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J.
Deposit date:2013-07-31
Release date:2014-08-06
Last modified:2014-11-26
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase.
Acta Crystallogr.,Sect.D, 70, 2014
4NRS
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BU of 4nrs by Molmil
Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase (E202A mutant) from Rhizomucor miehei in complex with mannobiose
Descriptor: Exo-beta-1,4-mannosidase, beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose
Authors:Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J.
Deposit date:2013-11-27
Release date:2014-11-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase.
Acta Crystallogr.,Sect.D, 70, 2014
4NRR
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BU of 4nrr by Molmil
Crystal Structure of Glycoside Hydrolase Family 5 Mannosidase (E202A mutant) from Rhizomucor miehei in complex with mannosyl-fructose
Descriptor: Exo-beta-1,4-mannosidase, beta-D-mannopyranose-(1-4)-beta-D-fructofuranose
Authors:Jiang, Z.Q, Zhou, P, Yang, S.Q, Liu, Y, Yan, Q.J.
Deposit date:2013-11-27
Release date:2014-11-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase.
Acta Crystallogr.,Sect.D, 70, 2014
4QP0
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BU of 4qp0 by Molmil
Crystal Structure Analysis of the Endo-1,4-beta-mannanase from Rhizomucor miehei
Descriptor: Endo-beta-mannanase, SULFATE ION
Authors:Zheng, Q.J, Peng, Z, Liu, Y, Yan, Q.J, Chen, Z.Z, Qin, Z.
Deposit date:2014-06-22
Release date:2014-11-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the substrate specificity and transglycosylation activity of a fungal glycoside hydrolase family 5 beta-mannosidase.
Acta Crystallogr.,Sect.D, 70, 2014
8HC7
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BU of 8hc7 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) complex with YB9-258 Fab, focused refinement of RBD-dimer region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain variable region of YB9-258, Light chain variable region of YB9-258, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (4.54 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC8
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BU of 8hc8 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with YB13-292 Fab, focused refinement of Fab region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, Light chain of YB13-292 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC6
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BU of 8hc6 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with YB9-258 Fab, focused refinement of Fab region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB9-258 Fab, Light chain of YB9-258, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (4.69 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC4
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BU of 8hc4 by Molmil
SARS-CoV-2 wildtype spike trimer (6P) in complex with 3 YB9-258 Fabs and 3 R1-32 Fabs (3 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HCB
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BU of 8hcb by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (2 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HCA
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BU of 8hca by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (4.35 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC5
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BU of 8hc5 by Molmil
SARS-CoV-2 wildtype S1 in complex with YB9-258 Fab and R1-32 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, Heavy chain of YB9-258 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC3
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BU of 8hc3 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 2 YB9-258 Fabs (2 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB9-258, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (4.35 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC2
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BU of 8hc2 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 1 YB9-258 Fab (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB9-258 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (6.21 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC9
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BU of 8hc9 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (3 RBD down)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (6.03 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8H0Z
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BU of 8h0z by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-122 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ...
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023

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