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1BHF
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BU of 1bhf by Molmil
P56LCK SH2 DOMAIN INHIBITOR COMPLEX
Descriptor: INHIBITOR ACE-IPA-GLU-GLU-ILE, T-LYMPHOCYTE-SPECIFIC PROTEIN TYROSINE KINASE P56LCK
Authors:Tong, L, Warren, T.C, Lukas, S, Schembri-King, J, Betageri, R, Proudfoot, J.R, Jakes, S.
Deposit date:1998-06-08
Release date:1998-10-21
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Carboxymethyl-phenylalanine as a replacement for phosphotyrosine in SH2 domain binding.
J.Biol.Chem., 273, 1998
1BHH
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BU of 1bhh by Molmil
FREE P56LCK SH2 DOMAIN
Descriptor: P56 LCK TYROSINE KINASE SH2 DOMAIN, T-LYMPHOCYTE-SPECIFIC PROTEIN TYROSINE KINASE P56LCK
Authors:Tong, L, Warren, T.C, Lukas, S, Schembri-King, J, Betageri, R, Proudfoot, J.R, Jakes, S.
Deposit date:1998-06-08
Release date:1998-10-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Carboxymethyl-phenylalanine as a replacement for phosphotyrosine in SH2 domain binding.
J.Biol.Chem., 273, 1998
2KFB
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BU of 2kfb by Molmil
The structure of the cataract causing P23T mutant of human gamma-D crystallin
Descriptor: Gamma-crystallin D
Authors:Jung, J, Byeon, I.L, Wang, Y, King, J, Gronenborn, A.M.
Deposit date:2009-02-12
Release date:2009-07-28
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:The structure of the cataract-causing P23T mutant of human gammaD-crystallin exhibits distinctive local conformational and dynamic changes.
Biochemistry, 48, 2009
7NM2
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BU of 7nm2 by Molmil
Solution structure of MLKL executioner domain in complex with a fragment
Descriptor: 2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein
Authors:Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M.
Deposit date:2021-02-23
Release date:2021-09-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
7NM5
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BU of 7nm5 by Molmil
Solution structure of MLKL executioner domain in complex with a fragment
Descriptor: 2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid, Mixed lineage kinase domain-like protein
Authors:Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M.
Deposit date:2021-02-23
Release date:2021-09-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
7NM4
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BU of 7nm4 by Molmil
Solution structure of MLKL executioner domain in complex with a fragment
Descriptor: (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol, Mixed lineage kinase domain-like protein
Authors:Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M.
Deposit date:2021-02-23
Release date:2021-09-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Discovery and Structure-Based Optimization of Fragments Binding the Mixed Lineage Kinase Domain-like Protein Executioner Domain.
J.Med.Chem., 64, 2021
4BML
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BU of 4bml by Molmil
C-alpha backbone trace of major capsid protein gp39 found in marine virus Syn5.
Descriptor: MAJOR CAPSID PROTEIN
Authors:Gipson, P, Baker, M.L, Raytcheva, D, Haase-Pettingell, C, Piret, J, King, J, Chiu, W.
Deposit date:2013-05-09
Release date:2014-05-21
Last modified:2020-12-23
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Protruding Knob-Like Proteins Violate Local Symmetries in an Icosahedral Marine Virus.
Nat.Commun., 5, 2014
8SMT
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BU of 8smt by Molmil
Crystal structure of antibody WRAIR-2134 in complex with SARS-CoV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, WRAIR-2134 Fab heavy chain, ...
Authors:Sankhala, R.S, Jensen, J.L, Joyce, M.G.
Deposit date:2023-04-26
Release date:2023-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
8SMI
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BU of 8smi by Molmil
Crystal structure of antibody WRAIR-2123 in complex with SARS-CoV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, WRAIR-2123 Fab heavy chain, ...
Authors:Sankhala, R.S, Jensen, J.L, Joyce, M.G.
Deposit date:2023-04-26
Release date:2023-12-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
8SGU
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BU of 8sgu by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Sankhala, R.S, Jensen, J.L, Joyce, M.G.
Deposit date:2023-04-13
Release date:2023-12-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
1I5I
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BU of 1i5i by Molmil
THE C18S MUTANT OF BOVINE (GAMMA-B)-CRYSTALLIN
Descriptor: (GAMMA-B) CRYSTALLIN
Authors:Zarutskie, J.A, Asherie, N, Pande, J, Pande, A, Lomakin, J, Lomakin, A, Ogun, O, Stern, L.J, King, J.A, Benedek, G.B.
Deposit date:2001-02-27
Release date:2001-03-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Enhanced crystallization of the Cys18 to Ser mutant of bovine gammaB crystallin.
J.Mol.Biol., 314, 2001
6ZPR
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BU of 6zpr by Molmil
Solution structure of MLKL executioner domain in complex with a covalent inhibitor
Descriptor: 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione, Mixed lineage kinase domain-like protein,Mixed lineage kinase domain-like protein
Authors:Ruebbelke, M, Bauer, M, Hamilton, J, Binder, F, Nar, H, Zeeb, M.
Deposit date:2020-07-09
Release date:2020-12-16
Last modified:2021-01-06
Method:SOLUTION NMR
Cite:Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZLE
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BU of 6zle by Molmil
Solution structure of unliganded MLKL executioner domain
Descriptor: Mixed lineage kinase domain-like protein
Authors:Ruebbelke, M, Bauer, M, Nar, H, Zeeb, M.
Deposit date:2020-06-30
Release date:2020-12-16
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZVO
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BU of 6zvo by Molmil
Crystal structure of unliganded MLKL executioner domain
Descriptor: BROMIDE ION, CHLORIDE ION, Mixed lineage kinase domain-like protein
Authors:Fiegen, D, Bauer, M, Nar, H.
Deposit date:2020-07-27
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.371 Å)
Cite:Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis.
Proc.Natl.Acad.Sci.USA, 117, 2020
6ZZ1
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BU of 6zz1 by Molmil
Crystal structure of MLKL executioner domain in complex with a covalent inhibitor
Descriptor: 7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione, Mixed lineage kinase domain-like protein
Authors:Fiegen, D, Bauer, M, Nar, H.
Deposit date:2020-08-03
Release date:2020-12-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis.
Proc.Natl.Acad.Sci.USA, 117, 2020
8FAH
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BU of 8fah by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with SARS-CoV-2 reactive human antibody CR3022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CR3022 Fab heavy chain, CR3022 Fab light chain, ...
Authors:Sankhala, R.S, Jensen, J.L, Joyce, M.G.
Deposit date:2022-11-26
Release date:2023-12-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (4.22 Å)
Cite:Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
8H7A
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BU of 8h7a by Molmil
Crystal structure of the dimer form KAT6A WH domain with its bound double stranded DNA
Descriptor: DNA (5'-D(*GP*GP*TP*CP*CP*GP*AP*CP*GP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*CP*GP*TP*CP*GP*GP*AP*CP*C)-3'), Histone acetyltransferase KAT6A, ...
Authors:Wang, Z, Cao, Y.
Deposit date:2022-10-19
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The histone acetyltransferase KAT6A is recruited to unmethylated CpG islands via a DNA binding winged helix domain.
Nucleic Acids Res., 51, 2023
7Y43
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BU of 7y43 by Molmil
Crystal structure of the KAT6A WH domain and its bound double stranded DNA
Descriptor: DNA (5'-D(*GP*GP*AP*GP*TP*GP*CP*GP*CP*AP*CP*TP*CP*C)-3'), Histone acetyltransferase KAT6A, MAGNESIUM ION
Authors:Wang, Z, Jia, Y.
Deposit date:2022-06-13
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The histone acetyltransferase KAT6A is recruited to unmethylated CpG islands via a DNA binding winged helix domain.
Nucleic Acids Res., 51, 2023
1LKK
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BU of 1lkk by Molmil
HUMAN P56-LCK TYROSINE KINASE SH2 DOMAIN IN COMPLEX WITH THE PHOSPHOTYROSYL PEPTIDE AC-PTYR-GLU-GLU-ILE (PYEEI PEPTIDE)
Descriptor: ACETYL GROUP, HUMAN P56 TYROSINE KINASE, PHOSPHOTYROSYL PEPTIDE AC-PTYR-GLU-GLU-ILE
Authors:Tong, L.
Deposit date:1995-11-10
Release date:1996-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1 Å)
Cite:Crystal structures of the human p56lck SH2 domain in complex with two short phosphotyrosyl peptides at 1.0 A and 1.8 A resolution.
J.Mol.Biol., 256, 1996
1LKL
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BU of 1lkl by Molmil
HUMAN P56-LCK TYROSINE KINASE SH2 DOMAIN IN COMPLEX WITH THE PHOSPHOTYROSYL PEPTIDE AC-PTYR-GLU-GLU-GLY (PYEEG PEPTIDE)
Descriptor: HUMAN P56 TYROSINE KINASE, PHOSPHOTYROSYL PEPTIDE AC-PTYR-GLU-GLU-GLY
Authors:Tong, L.
Deposit date:1995-11-10
Release date:1996-03-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the human p56lck SH2 domain in complex with two short phosphotyrosyl peptides at 1.0 A and 1.8 A resolution.
J.Mol.Biol., 256, 1996
7S83
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BU of 7s83 by Molmil
Crystal structure of SARS CoV-2 Spike Receptor Binding Domain in complex with shark neutralizing VNARs ShAb01 and ShAb02
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ShAb01 VNAR, ...
Authors:Chen, W.-H, Hajduczki, A, Dooley, H.M, Joyce, M.G.
Deposit date:2021-09-17
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Shark nanobodies with potent SARS-CoV-2 neutralizing activity and broad sarbecovirus reactivity.
Nat Commun, 14, 2023
7U8E
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BU of 7u8e by Molmil
Crystal structure of antibody Ab246 in complex with SARS-CoV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Ab246 Fab heavy chain, Antibody Ab246 Fab light chain, ...
Authors:Sankhala, R.S, Joyce, M.G.
Deposit date:2022-03-08
Release date:2023-03-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain.
Structure, 32, 2024
7JKM
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BU of 7jkm by Molmil
REGN1 Human Fab in complex with anti-Kappa VHH domain
Descriptor: REGN1 Antibody Heavy Chain, REGN1 Antibody Light Chain, anti-Kappa VHH domain nanobody
Authors:Dennis, T.N, de la Cruz, M, Williams, J.C.
Deposit date:2020-07-28
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Verification of a Fab binding nanobody for crystallization studies
To Be Published
2KLJ
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BU of 2klj by Molmil
Solution Structure of gammaD-Crystallin with RDC and SAXS
Descriptor: Gamma-crystallin D
Authors:Wang, J, Zuo, X, Yu, P, Byeon, I, Jung, J, Gronenborn, A.M, Wang, Y.
Deposit date:2009-07-06
Release date:2009-10-06
Last modified:2022-03-16
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Determination of multicomponent protein structures in solution using global orientation and shape restraints.
J.Am.Chem.Soc., 131, 2009

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