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4GXV
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BU of 4gxv by Molmil
Crystal structure of anti-influenza virus antibody 1F1
Descriptor: Antibody 1F1, heavy chain, light chain
Authors:Ekiert, D.C, Wilson, I.A.
Deposit date:2012-09-04
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Influenza Human Monoclonal Antibody 1F1 Interacts with Three Major Antigenic Sites and Residues Mediating Human Receptor Specificity in H1N1 Viruses.
Plos Pathog., 8, 2012
4K3D
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BU of 4k3d by Molmil
Crystal structure of bovine antibody BLV1H12 with ultralong CDR H3
Descriptor: BOVINE ANTIBODY WITH ULTRALONG CDR H3, HEAVY CHAIN, LIGHT CHAIN, ...
Authors:Ekiert, D.C, Wang, F, Wilson, I.A.
Deposit date:2013-04-10
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Reshaping antibody diversity.
Cell(Cambridge,Mass.), 153, 2013
2LT7
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BU of 2lt7 by Molmil
Solution NMR structure of Kaiso zinc finger DNA binding domain in complex with Kaiso binding site DNA
Descriptor: DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), Transcriptional regulator Kaiso, ...
Authors:Buck-Koehntop, B.A, Stanfield, R.L, Ekiert, D.C, Martinez-Yamout, M.A, Dyson, H, Wilson, I.A, Wright, P.E.
Deposit date:2012-05-15
Release date:2012-09-05
Last modified:2012-10-03
Method:SOLUTION NMR
Cite:Molecular basis for recognition of methylated and specific DNA sequences by the zinc finger protein Kaiso.
Proc.Natl.Acad.Sci.USA, 109, 2012
7MI8
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BU of 7mi8 by Molmil
Signal subtracted reconstruction of AAA5 and AAA6 domains of dynein in the presence of a pyrazolo-pyrimidinone-based compound, Model 5
Descriptor: Fusion protein of Dynein and Endolysin
Authors:Santarossa, C.C, Coudray, N, Urnavicius, L, Ekiert, D.C, Bhabha, G, Kapoor, T.M.
Deposit date:2021-04-16
Release date:2021-05-26
Last modified:2021-11-03
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Targeting allostery in the Dynein motor domain with small molecule inhibitors.
Cell Chem Biol, 28, 2021
7MI3
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BU of 7mi3 by Molmil
Signal subtracted reconstruction of AAA2, AAA3, and AAA4 domains of dynein in the presence of a pyrazolo-pyrimidinone-based compound, Model 4
Descriptor: (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile, ADENOSINE-5'-TRIPHOSPHATE, Fusion protein of Dynein and Endolysin, ...
Authors:Santarossa, C.C, Coudray, N, Urnavicius, L, Ekiert, D.C, Bhabha, G, Kapoor, T.M.
Deposit date:2021-04-16
Release date:2021-05-26
Last modified:2021-11-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Targeting allostery in the Dynein motor domain with small molecule inhibitors.
Cell Chem Biol, 28, 2021
7MI1
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BU of 7mi1 by Molmil
X-ray structure of yeast dynein motor domain in the presence of a pyrazolo-pyrimidinone-based compound (compound 20)
Descriptor: Chimera protein of Dynein and Endolysin
Authors:Santarossa, C.C, Ekiert, D.C, Bhabha, G, Kapoor, T.M.
Deposit date:2021-04-16
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Targeting allostery in the Dynein motor domain with small molecule inhibitors.
Cell Chem Biol, 28, 2021
8FEE
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BU of 8fee by Molmil
Structure of Mce1 transporter from Mycobacterium smegmatis in the absence of LucB (Map2)
Descriptor: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
Authors:Chen, J, Bhabha, G, Ekiert, D.C.
Deposit date:2022-12-06
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8FED
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BU of 8fed by Molmil
Structure of Mce1-LucB complex from Mycobacterium smegmatis (Map1)
Descriptor: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
Authors:Chen, J, Bhabha, G, Ekiert, D.C.
Deposit date:2022-12-06
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8FEF
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BU of 8fef by Molmil
Structure of Mce1 transporter from Mycobacterium smegmatis (Map0)
Descriptor: ABC transporter, ATP-binding protein,Green fluorescent protein chimera, ABC-transporter integral membrane protein, ...
Authors:Chen, J, Bhabha, G, Ekiert, D.C.
Deposit date:2022-12-06
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structure of an endogenous mycobacterial MCE lipid transporter.
Nature, 620, 2023
8GLT
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BU of 8glt by Molmil
Backbone model of de novo-designed chlorophyll-binding nanocage O32-15
Descriptor: C2-chlorophyll-comp_O32-15_ctermHis, polyalanine model, C3-comp_O32-15
Authors:Redler, R.L, Ennist, N.M, Wang, S, Baker, D, Ekiert, D.C, Bhabha, G.
Deposit date:2023-03-23
Release date:2024-03-27
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:De novo design of energy transfer proteins housing excitonically coupled chlorophyll special pairs
To Be Published
7UDL
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BU of 7udl by Molmil
Crystal structure of designed helical repeat protein RPB_PLP1_R6 bound to PLPx6 peptide
Descriptor: 1,2-ETHANEDIOL, 6xPLP Peptide, Designed helical repeat protein (DHR) RPB_PLP1_R6
Authors:Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7UDO
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BU of 7udo by Molmil
Crystal structure of designed helical repeat protein RPB_LRP2_R4 (proteolysis fragment?), forming pseudopolymeric filaments
Descriptor: 1,2-ETHANEDIOL, Designed helical repeat protein (DHR) RPB_LRP2_R4, PHOSPHATE ION
Authors:Redler, R.L, Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7UDK
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BU of 7udk by Molmil
Crystal structure of designed helical repeat protein RPB_LRP2_R4 bound to LRPx4 peptide
Descriptor: 4xLRP, Designed helical repeat protein (DHR) RPB_LRP2_R4
Authors:Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7UDM
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BU of 7udm by Molmil
Crystal structure of designed helical repeat protein RPB_PLP1_R6 in alternative conformation 1 (with peptide)
Descriptor: 6xPLP, Designed helical repeat protein (DHR) RPB_PLP1_R6
Authors:Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7UDN
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BU of 7udn by Molmil
Crystal structure of designed helical repeat protein RPB_PLP1_R6 in alternative conformation 2
Descriptor: Designed helical repeat protein (DHR) RPB_PLP1_R6
Authors:Chang, Y, Redler, R.L, Bhabha, G, Ekiert, D.C.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7UE2
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BU of 7ue2 by Molmil
Crystal structure of designed helical repeat protein RPB_PLP3_R6 bound to PLPx6 peptide
Descriptor: PLPx6 peptide, RPB_PLP3_R6
Authors:Chang, Y, Ekiert, D.C, Bhabha, G.
Deposit date:2022-03-21
Release date:2023-03-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
7UPO
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BU of 7upo by Molmil
Crystal structure of designed heterotrimeric assembly DHT03
Descriptor: DHT03 protein A, DHT03 protein B, DHT03 protein C
Authors:Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:2022-04-16
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022
7UPP
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BU of 7upp by Molmil
Crystal structure of designed heterotrimeric assembly DHT03_2arm_A21/B21/C long
Descriptor: DHT03 protein A, DHT03 protein B, DHT03 protein C
Authors:Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:2022-04-16
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022
7UPQ
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BU of 7upq by Molmil
Crystal structure of designed heterotrimeric assembly DHT03_1arm_A21/B/C
Descriptor: DHT03 protein A, DHT03 protein B, DHT03 protein C
Authors:Chang, Y, Bhabha, G, Ekiert, D.C.
Deposit date:2022-04-16
Release date:2022-12-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:De novo design of obligate ABC-type heterotrimeric proteins.
Nat.Struct.Mol.Biol., 29, 2022
3QL3
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BU of 3ql3 by Molmil
Re-refined coordinates for PDB entry 1RX2
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A.
Deposit date:2011-02-02
Release date:2011-04-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis.
Science, 332, 2011
3QL0
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BU of 3ql0 by Molmil
Crystal structure of N23PP/S148A mutant of E. coli dihydrofolate reductase
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Bhabha, G, Ekiert, D.C, Wright, P.E, Wilson, I.A.
Deposit date:2011-02-02
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A dynamic knockout reveals that conformational fluctuations influence the chemical step of enzyme catalysis.
Science, 332, 2011
6V0F
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BU of 6v0f by Molmil
Lipophilic Envelope-spanning Tunnel B (LetB), Model 4
Descriptor: Intermembrane transport protein YebT
Authors:Isom, G.L, Coudray, N, MacRae, M.R, McManus, C.T, Ekiert, D.C, Bhabha, G.
Deposit date:2019-11-18
Release date:2020-05-06
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:LetB Structure Reveals a Tunnel for Lipid Transport across the Bacterial Envelope.
Cell, 181, 2020
6V0H
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BU of 6v0h by Molmil
Lipophilic Envelope-spanning Tunnel B (LetB), Model 6
Descriptor: Intermembrane transport protein YebT
Authors:Isom, G.L, Coudray, N, MacRae, M.R, McManus, C.T, Ekiert, D.C, Bhabha, G.
Deposit date:2019-11-18
Release date:2020-05-06
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:LetB Structure Reveals a Tunnel for Lipid Transport across the Bacterial Envelope.
Cell, 181, 2020
6V0C
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BU of 6v0c by Molmil
Lipophilic Envelope-spanning Tunnel B (LetB), Model 1
Descriptor: Intermembrane transport protein YebT
Authors:Isom, G.L, Coudray, N, MacRae, M.R, McManus, C.T, Ekiert, D.C, Bhabha, G.
Deposit date:2019-11-18
Release date:2020-05-06
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:LetB Structure Reveals a Tunnel for Lipid Transport across the Bacterial Envelope.
Cell, 181, 2020
6V0E
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BU of 6v0e by Molmil
Lipophilic Envelope-spanning Tunnel B (LetB), Model 3
Descriptor: Intermembrane transport protein YebT
Authors:Isom, G.L, Coudray, N, MacRae, M.R, McManus, C.T, Ekiert, D.C, Bhabha, G.
Deposit date:2019-11-18
Release date:2020-05-06
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:LetB Structure Reveals a Tunnel for Lipid Transport across the Bacterial Envelope.
Cell, 181, 2020

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