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5CBZ
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BU of 5cbz by Molmil
AncMR DNA Binding Domain - (+)GRE Complex
Descriptor: AncMR DNA Binding Domain, DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*CP*TP*CP*TP*GP*TP*TP*CP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*GP*AP*AP*CP*AP*GP*AP*GP*TP*GP*TP*TP*CP*TP*G)-3'), ...
Authors:Hudson, W.H, Ortlund, E.A.
Deposit date:2015-07-01
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Distal substitutions drive divergent DNA specificity among paralogous transcription factors through subdivision of conformational space.
Proc.Natl.Acad.Sci.USA, 113, 2016
6OP3
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BU of 6op3 by Molmil
Selenium incorporated FeMo-cofactor of nitrogenase from Azotobacter vinelandii with low concentration of selenium
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ...
Authors:Arias, R.J, Rees, D.C.
Deposit date:2019-04-24
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Localized Electronic Structure of Nitrogenase FeMoco Revealed by Selenium K-Edge High Resolution X-ray Absorption Spectroscopy.
J.Am.Chem.Soc., 141, 2019
8DV1
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BU of 8dv1 by Molmil
SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to linker variant of affinity matured ACE2 mimetic CVD432
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion,Immunoglobulin gamma-1 heavy chain, Spike glycoprotein
Authors:QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A.
Deposit date:2022-07-27
Release date:2022-08-31
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps.
Structure, 31, 2023
8DV2
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BU of 8dv2 by Molmil
SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to computationally engineered ACE2 mimetic CVD293
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion, Spike glycoprotein
Authors:QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A.
Deposit date:2022-07-27
Release date:2022-08-31
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps.
Structure, 31, 2023
3ZTM
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BU of 3ztm by Molmil
Cytochrome c prime from alcaligenes xylosoxidans: as isolated L16G variant at 0.9 A resolution: unrestraint refinement
Descriptor: CARBON MONOXIDE, CYTOCHROME C', HEME C
Authors:Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:2011-07-11
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ZWI
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BU of 3zwi by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND AT 1.25 A:UNRESTRAINT REFINEMENT
Descriptor: ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ...
Authors:Antonyuk, S, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:2011-07-31
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas-Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
3OMA
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BU of 3oma by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with K362M mutation
Descriptor: (2S,3R)-heptane-1,2,3-triol, CADMIUM ION, CALCIUM ION, ...
Authors:Liu, J, Qin, L, Ferguson-Miller, S.
Deposit date:2010-08-26
Release date:2011-02-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic and online spectral evidence for role of conformational change and conserved water in cytochrome oxidase proton pump.
Proc.Natl.Acad.Sci.USA, 108, 2011
3OMI
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BU of 3omi by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with D132A mutation
Descriptor: (2S,3R)-heptane-1,2,3-triol, CADMIUM ION, CALCIUM ION, ...
Authors:Liu, J, Qin, L, Ferguson-Miller, S.
Deposit date:2010-08-27
Release date:2011-02-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystallographic and online spectral evidence for role of conformational change and conserved water in cytochrome oxidase proton pump.
Proc.Natl.Acad.Sci.USA, 108, 2011
8TNB
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BU of 8tnb by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo mefuparib
Descriptor: 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide, De novo designed protein
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TNC
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BU of 8tnc by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, De novo designed protein
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TN1
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BU of 8tn1 by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - apo
Descriptor: De novo designed 4 helix bundles, SULFATE ION
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
3ZQY
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BU of 3zqy by Molmil
CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND L16A VARIANT AT 1.03 A RESOLUTION- NON-RESTRAINT REFINEMENT
Descriptor: CARBON MONOXIDE, CYTOCHROME C', HEME C
Authors:Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S.
Deposit date:2011-06-12
Release date:2011-10-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
8TND
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BU of 8tnd by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo veliparib
Descriptor: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, De novo designed protein, SULFATE ION
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TN6
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BU of 8tn6 by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo rucaparib
Descriptor: De novo designed protein, Rucaparib
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
3OM3
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BU of 3om3 by Molmil
Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with K362M mutation in the reduced state
Descriptor: (2S,3R)-heptane-1,2,3-triol, CADMIUM ION, CALCIUM ION, ...
Authors:Liu, J, Qin, L, Ferguson-Miller, S.
Deposit date:2010-08-26
Release date:2011-02-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic and online spectral evidence for role of conformational change and conserved water in cytochrome oxidase proton pump.
Proc.Natl.Acad.Sci.USA, 108, 2011
3ZQV
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BU of 3zqv by Molmil
RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS AT 0.84 A RESOLUTION: NON-RESTRAINED REFINEMENT
Descriptor: CYTOCHROME C', HEME C, SULFATE ION
Authors:Antonyuk, S.V, Eady, R.R, Hasnain, S.S.
Deposit date:2011-06-12
Release date:2011-10-05
Last modified:2020-03-11
Method:X-RAY DIFFRACTION (0.84 Å)
Cite:Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins.
Proc.Natl.Acad.Sci.USA, 108, 2011
3OPY
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BU of 3opy by Molmil
Crystal structure of Pichia pastoris phosphofructokinase in the T-state
Descriptor: 6-phosphofructo-1-kinase alpha-subunit, 6-phosphofructo-1-kinase beta-subunit, 6-phosphofructo-1-kinase gamma-subunit, ...
Authors:Strater, N, Marek, S, Kuettner, E.B, Kloos, M, Keim, A, Bruser, A, Kirchberger, J, Schoneberg, T.
Deposit date:2010-09-02
Release date:2010-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Molecular architecture and structural basis of allosteric regulation of eukaryotic phosphofructokinases.
Faseb J., 25, 2011
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: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
6OP4
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BU of 6op4 by Molmil
Selenium-incorporated, carbon monoxide-inhibited, reactivated FeMo-cofactor of nitrogenase from Azotobacter vinelandii
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ...
Authors:Arias, R.J, Rees, D.C.
Deposit date:2019-04-24
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Localized Electronic Structure of Nitrogenase FeMoco Revealed by Selenium K-Edge High Resolution X-ray Absorption Spectroscopy.
J.Am.Chem.Soc., 141, 2019
6OP2
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BU of 6op2 by Molmil
Selenium incorporated FeMo-cofactor of nitrogenase from azotobacter vinelandii at high concentration of selenium
Descriptor: 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ...
Authors:Arias, R.J, Rees, D.C.
Deposit date:2019-04-24
Release date:2019-08-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Localized Electronic Structure of Nitrogenase FeMoco Revealed by Selenium K-Edge High Resolution X-ray Absorption Spectroscopy.
J.Am.Chem.Soc., 141, 2019
6CU7
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BU of 6cu7 by Molmil
Alpha Synuclein fibril formed by full length protein - Rod Polymorph
Descriptor: Alpha-synuclein
Authors:Li, B, Hatami, A, Ge, P, Murray, K.A, Sheth, P, Zhang, M, Nair, G, Sawaya, M.R, Zhu, C, Broad, M, Shin, W.S, Ye, S, John, V, Eisenberg, D.S, Zhou, Z.H, Jiang, L.
Deposit date:2018-03-23
Release date:2018-09-12
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM of full-length alpha-synuclein reveals fibril polymorphs with a common structural kernel.
Nat Commun, 9, 2018
8FBB
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BU of 8fbb by Molmil
LH2-LH3 antenna in parallel configuration embedded in a nanodisc
Descriptor: BACTERIOCHLOROPHYLL A, LYCOPENE, Light-harvesting protein B-800/850 alpha chain, ...
Authors:Toporik, H, Harris, D, Schlau-Cohen, G.S, Mazor, Y.
Deposit date:2022-11-29
Release date:2023-07-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (11.3 Å)
Cite:Elucidating interprotein energy transfer dynamics within the antenna network from purple bacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
5AC9
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BU of 5ac9 by Molmil
Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design
Descriptor: VP1, VP2, VP3, ...
Authors:Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, PerezMartin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I.
Deposit date:2015-08-14
Release date:2015-09-23
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design
Nat.Struct.Mol.Biol., 22, 2015

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