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5HDC
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BU of 5hdc by Molmil
Femtosecond Structural Dynamics Drives the Trans/Cis Isomerization in Photoactive Yellow Protein: 100 fs to 400 fs Structure
Descriptor: Photoactive yellow protein
Authors:Pande, K, Tenboer, J, Schmidt, M.
Deposit date:2016-01-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HDD
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BU of 5hdd by Molmil
Femtosecond Structural Dynamics Drives the Trans/Cis Isomerization in Photoactive Yellow Protein: 800 fs to 1200 fs Structure
Descriptor: Photoactive yellow protein
Authors:Pande, K, Tenboer, J, Schmidt, M.
Deposit date:2016-01-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5HDS
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BU of 5hds by Molmil
Femtosecond Structural Dynamics Drives the Trans/Cis Isomerization in Photoactive Yellow Protein: 3 ps Structure
Descriptor: Photoactive yellow protein
Authors:Pande, K, Tenboer, J, Schmidt, M.
Deposit date:2016-01-05
Release date:2016-05-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Femtosecond structural dynamics drives the trans/cis isomerization in photoactive yellow protein.
Science, 352, 2016
5BR1
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BU of 5br1 by Molmil
CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS S4 (Avi_5305, TARGET EFI-511224) WITH BOUND ALPHA-D-GALACTOSAMINE
Descriptor: 2-amino-2-deoxy-alpha-D-galactopyranose, ABC transporter, binding protein
Authors:Yadava, U, 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:2015-05-29
Release date:2015-06-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of an ABC transporter solute-binding protein specific for the amino sugars glucosamine and galactosamine.
Acta Crystallogr.,Sect.F, 72, 2016
3MTH
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BU of 3mth by Molmil
X-RAY CRYSTALLOGRAPHIC STUDIES ON HEXAMERIC INSULINS IN THE PRESENCE OF HELIX-STABILIZING AGENTS, THIOCYANATE, METHYLPARABEN AND PHENOL
Descriptor: 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHLORIDE ION, METHYLPARABEN INSULIN, ...
Authors:Whittingham, J.L, Dodson, E.J, Moody, P.C.E, Dodson, G.G.
Deposit date:1995-09-13
Release date:1996-01-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray crystallographic studies on hexameric insulins in the presence of helix-stabilizing agents, thiocyanate, methylparaben, and phenol.
Biochemistry, 34, 1995
4Z8K
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BU of 4z8k by Molmil
Phycocyanin structure from T. elongatus at 2.5-A from XFEL using a viscous delivery medium for serial femtosecond crystallography
Descriptor: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
Authors:Fromme, R, Basu, S, Fromme, P.
Deposit date:2015-04-09
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A novel inert crystal delivery medium for serial femtosecond crystallography.
Iucrj, 2, 2015
6ELC
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BU of 6elc by Molmil
Crystal Structure of O-linked Glycosylated VSG3
Descriptor: Variant surface glycoprotein, alpha-D-glucopyranose, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Stebbins, C.E.
Deposit date:2017-09-28
Release date:2018-07-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:African trypanosomes evade immune clearance by O-glycosylation of the VSG surface coat.
Nat Microbiol, 3, 2018
5VXV
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BU of 5vxv by Molmil
Peroxisomal membrane protein PEX15
Descriptor: Peroxisomal membrane protein PEX15
Authors:Gardner, B.M, Castanzo, D.T.
Deposit date:2017-05-24
Release date:2018-01-17
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The peroxisomal AAA-ATPase Pex1/Pex6 unfolds substrates by processive threading.
Nat Commun, 9, 2018
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
6XFV
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BU of 6xfv by Molmil
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A NOVEL INVERSE AGONIST
Descriptor: 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma
Authors:Sack, J.S.
Deposit date:2020-06-16
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of (3S,4S)-3-methyl-3-(4-fluorophenyl)-4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxyprop-2-yl)phenyl)pyrrolidines as novel ROR gamma t inverse agonists.
Bioorg.Med.Chem.Lett., 30, 2020
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
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
6NZ7
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BU of 6nz7 by Molmil
Crystal structure of broadly neutralizing Influenza A antibody 429 B01 in complex with Hemagglutinin Hong Kong 1968
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 429 B01 FAB heavy chain, 429 B01 FAB light chain, ...
Authors:Zhou, T, Kwong, P.D.
Deposit date:2019-02-13
Release date:2019-05-08
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Prolonged evolution of the memory B cell response induced by a replicating adenovirus-influenza H5 vaccine.
Sci Immunol, 4, 2019
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
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
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:2024-10-09
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
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
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:2024-10-30
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
6O3T
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BU of 6o3t by Molmil
Structural basis of FOXC2 and DNA interactions
Descriptor: DNA (5'-D(*AP*AP*AP*TP*TP*GP*TP*TP*TP*AP*TP*AP*AP*AP*CP*AP*GP*CP*CP*CP*G)-3'), DNA (5'-D(*TP*TP*CP*GP*GP*GP*CP*TP*GP*TP*TP*TP*AP*TP*AP*AP*AP*CP*AP*AP*T)-3'), Forkhead box protein C2
Authors:Nam, H.-J, Li, S.
Deposit date:2019-02-27
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Crystal Structure of FOXC2 in Complex with DNA Target.
Acs Omega, 4, 2019
6S41
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BU of 6s41 by Molmil
CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455
Descriptor: 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
Authors:Focken, T, Maskos, K, Griessner, A, Krapp, S.
Deposit date:2019-06-26
Release date:2019-10-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy.
J.Med.Chem., 62, 2019
7SG4
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BU of 7sg4 by Molmil
Structure of SARS-CoV S protein in complex with Receptor Binding Domain antibody DH1047
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1047 Heavy chain, DH1047 light chain, ...
Authors:Gobeil, S, Acharya, P.
Deposit date:2021-10-04
Release date:2021-11-10
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:A broadly cross-reactive antibody neutralizes and protects against sarbecovirus challenge in mice.
Sci Transl Med, 14, 2022
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
8GB6
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BU of 8gb6 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 21B6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 21B6 Heavy chain, 21B6 Light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2023-02-24
Release date:2023-05-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023
8GB7
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BU of 8gb7 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 20A7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 20A7 Heavy chain, 20A7 Light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2023-02-24
Release date:2023-05-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine.
Sci Transl Med, 15, 2023

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