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8GB5
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BU of 8gb5 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 25F9
Descriptor: 25F9 Heavy chain, 25F9 Light chain, BICINE, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2023-02-24
Release date:2023-05-24
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
5VAG
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BU of 5vag by Molmil
Crystal structure of H7-specific antibody m826 in complex with the HA1 domain of hemagglutinin from H7N9 influenza virus
Descriptor: 1,2-ETHANEDIOL, Heavy chain of antibody m826, Hemagglutinin, ...
Authors:Song, H, Ying, T, Ji, X.
Deposit date:2017-03-26
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Potent Germline-like Human Monoclonal Antibody Targets a pH-Sensitive Epitope on H7N9 Influenza Hemagglutinin.
Cell Host Microbe, 22, 2017
5BQD
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BU of 5bqd by Molmil
Crystal Structure of TBX5 (1-239) Dimer
Descriptor: MAGNESIUM ION, T-box transcription factor TBX5
Authors:Pradhan, L, Gopal, S, Patel, A, Kasahara, H, Nam, H.J.
Deposit date:2015-05-28
Release date:2016-03-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.583 Å)
Cite:Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5.
Biochemistry, 55, 2016
6NY4
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BU of 6ny4 by Molmil
Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor
Descriptor: 4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
Authors:Sack, J.S.
Deposit date:2019-02-11
Release date:2019-05-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of a JAK1/3 Inhibitor and Use of a Prodrug To Demonstrate Efficacy in a Model of Rheumatoid Arthritis.
Acs Med.Chem.Lett., 10, 2019
6SEQ
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BU of 6seq by Molmil
Lemur tyrosine kinase 3 (LMTK3)
Descriptor: Serine/threonine-protein kinase LMTK3
Authors:Roe, S.M, Owen, R.
Deposit date:2019-07-30
Release date:2020-11-25
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure-function relationship of oncogenic LMTK3.
Sci Adv, 6, 2020
7UEB
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BU of 7ueb by Molmil
Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO2)
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ...
Authors:Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L.
Deposit date:2022-03-21
Release date:2022-10-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Nat Commun, 13, 2022
7UEA
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BU of 7uea by Molmil
Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO1)
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ...
Authors:Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L.
Deposit date:2022-03-21
Release date:2022-10-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Nat Commun, 13, 2022
4XFR
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BU of 4xfr by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group P6522
Descriptor: CITRIC ACID, Uncharacterized protein
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-28
Release date:2015-01-28
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XGJ
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BU of 4xgj by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, APO structure, domain swapped dimer
Descriptor: Uncharacterized protein
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-30
Release date:2015-02-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
4XFM
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BU of 4xfm by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Pectobacterium atrosepticum (ECA3761), Target EFI-511609, with bound D-threonate, domain swapped dimer
Descriptor: THREONATE ION, Uncharacterized protein
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-27
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
5IBN
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BU of 5ibn by Molmil
Ultra high resolution crystal structure of the apo- form of second bromodomain of BRD2.
Descriptor: Bromodomain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
Authors:Tripathi, S.K, Padmanabhan, B.
Deposit date:2016-02-22
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:A Novel Phenanthridionone Based Scaffold As a Potential Inhibitor of the BRD2 Bromodomain: Crystal Structure of the Complex
Plos One, 11, 2016
5IG6
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BU of 5ig6 by Molmil
Ultra-high resolution crystal structure of second bromodomain of BRD2 in complex with inhibitor 6B3
Descriptor: 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid, Bromodomain-containing protein 2, CHLORIDE ION, ...
Authors:Tripathi, S.K, Padmanabhan, B.
Deposit date:2016-02-27
Release date:2016-06-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:A Novel Phenanthridionone Based Scaffold As a Potential Inhibitor of the BRD2 Bromodomain: Crystal Structure of the Complex
Plos One, 11, 2016
4XG0
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BU of 4xg0 by Molmil
Crystal structure of a domain of unknown function (DUF1537) from Bordetella bronchiseptica (BB3215), Target EFI-511620, with bound citrate, domain swapped dimer, space group C2221
Descriptor: CHLORIDE ION, CITRIC ACID, SULFATE ION, ...
Authors:Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2014-12-30
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Assignment of function to a domain of unknown function: DUF1537 is a new kinase family in catabolic pathways for acid sugars.
Proc.Natl.Acad.Sci.USA, 113, 2016
8FF3
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BU of 8ff3 by Molmil
Amyloid-beta (1-40) fibrils derived from familial Dutch-type CAA patient (population B)
Descriptor: Amyloid-beta precursor protein
Authors:Crooks, E.J, Fu, Z, Chowdury, S, Smith, S.O.
Deposit date:2022-12-07
Release date:2023-12-06
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:An electrostatic cluster guides A beta 40 fibril formation in sporadic and Dutch-type cerebral amyloid angiopathy.
J.Struct.Biol., 216, 2024
7V2V
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BU of 7v2v by Molmil
Crystal Structure of VpsR display novel dimeric architecture and c-di-GMP binding: mechanistic implications in oligomerization, ATPase activity and DNA binding.
Descriptor: SULFATE ION, VpsR
Authors:Chakrabortty, T, Sen, U, Chowdhury, S.R.
Deposit date:2021-08-10
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.194 Å)
Cite:Crystal Structure of VpsR Revealed Novel Dimeric Architecture and c-di-GMP Binding Site: Mechanistic Implications in Oligomerization, ATPase Activity and DNA Binding.
J.Mol.Biol., 434, 2022
5V68
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BU of 5v68 by Molmil
Crystal structure of cell division protein FtsZ from Mycobacterium tuberculosis bounded via the T9 loop
Descriptor: Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION
Authors:Lazo, E.O, Ojima, I, Chowdhury, S.R, Awasthi, D, Jakoncic, J.
Deposit date:2017-03-16
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:Novel T9 loop conformation of filamenting temperature-sensitive mutant Z from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 75, 2019
6WCZ
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BU of 6wcz by Molmil
CryoEM structure of full-length ZIKV NS5-hSTAT2 complex
Descriptor: Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION
Authors:Boxiao, W, Stephanie, T, Kang, Z, Maria, T.S, Jian, F, Jiuwei, L, Linfeng, G, Wendan, R, Yanxiang, C, Ethan, C.V, HeaJin, H, Matthew, J.E, Sean, E.O, Adolfo, G.S, Hong, Z, Rong, H, Jikui, S.
Deposit date:2020-03-31
Release date:2020-07-08
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis for STAT2 suppression by flavivirus NS5.
Nat.Struct.Mol.Biol., 27, 2020
8U0V
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BU of 8u0v by Molmil
S. cerevisiae Pex1/Pex6 with 1 mM ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Peroxisomal ATPase PEX1, Peroxisomal ATPase PEX6
Authors:Gardner, B.M.
Deposit date:2023-08-29
Release date:2023-12-13
Last modified:2024-01-10
Method:ELECTRON MICROSCOPY (3.89 Å)
Cite:The N1 domain of the peroxisomal AAA-ATPase Pex6 is required for Pex15 binding and proper assembly with Pex1.
J.Biol.Chem., 300, 2023
4S0H
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BU of 4s0h by Molmil
TBX5 DB, NKX2.5 HD, ANF DNA Complex
Descriptor: 5'-D(*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP*GP*TP*GP*AP*GP*A)-3', 5'-D(*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP*TP*GP*AP*AP*GP*TP*GP*G)-3', Homeobox protein Nkx-2.5, ...
Authors:Pradhan, L.
Deposit date:2014-12-31
Release date:2015-12-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.817 Å)
Cite:Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5.
Biochemistry, 55, 2016
5VO6
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BU of 5vo6 by Molmil
CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN IN COMPLEX WITH A PYRROLOPYRIDAZINE INHIBITOR
Descriptor: 4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
Authors:Sack, J.S.
Deposit date:2017-05-02
Release date:2017-05-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of potent and efficacious pyrrolopyridazines as dual JAK1/3 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
7V3W
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BU of 7v3w by Molmil
Crystal Structure of VpsR display novel dimeric architecture and c-di-GMP binding: mechanistic implications in oligomerization, ATPase activity and DNA binding.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, VpsR
Authors:Chakrabortty, T, Sen, U, Chowdhury, S.R.
Deposit date:2021-08-11
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.205 Å)
Cite:Crystal Structure of VpsR Revealed Novel Dimeric Architecture and c-di-GMP Binding Site: Mechanistic Implications in Oligomerization, ATPase Activity and DNA Binding.
J.Mol.Biol., 434, 2022
7UPW
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BU of 7upw by Molmil
Three RBD-down state of SARS-CoV-2 D614G spike in complex with the SP1-77 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:Zhang, J, Luo, S, Kreutzberger, A, Kirchhausen, T, Chen, B, Haynes, B, Alt, F.
Deposit date:2022-04-18
Release date:2022-08-10
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:An antibody from single human V H -rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion.
Sci Immunol, 7, 2022
7UPY
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BU of 7upy by Molmil
An antibody from single human VH-rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:Zhang, J, Luo, S, Kreutzberger, A, Kirchhausen, T, Chen, B, Haynes, B, Alt, F.
Deposit date:2022-04-18
Release date:2022-08-10
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:An antibody from single human V H -rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion.
Sci Immunol, 7, 2022
7UPX
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BU of 7upx by Molmil
Three RBD-down state of SARS-CoV-2 D614G spike in complex with the SP1-77 neutralizing antibody Fab fragment (local refinement of the RBD and Fab variable domains)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SP1-77 Fab heavy chain, SP1-77 Fab light chain, ...
Authors:Zhang, J, Luo, S, Kreutzberger, A, Kirchhausen, T, Chen, B, Haynes, B, Alt, F.
Deposit date:2022-04-18
Release date:2022-08-10
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:An antibody from single human V H -rearranging mouse neutralizes all SARS-CoV-2 variants through BA.5 by inhibiting membrane fusion.
Sci Immunol, 7, 2022
4JOA
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BU of 4joa by Molmil
Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor
Descriptor: 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor
Authors:Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A.
Deposit date:2013-03-18
Release date:2013-07-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode
Bioorg.Med.Chem.Lett., 23, 2013

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