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7O6R
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BU of 7o6r by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with 1H-Indazole
Descriptor: 1H-indazole, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Zehe, M, Grimm, C, Sotriffer, C.
Deposit date:2021-04-12
Release date:2022-05-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
7ODI
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BU of 7odi by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with methanesulfonamide
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Heat shock cognate 71 kDa protein, ...
Authors:Zehe, M, Grimm, C, Sotriffer, C.
Deposit date:2021-04-29
Release date:2022-06-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
7ODB
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BU of 7odb by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with triazine-derivative
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-methyl-5-sulfanylidene-2H-1,2,4-triazin-3-one, GLYCEROL, ...
Authors:Zehe, M, Grimm, C, Sotriffer, C.
Deposit date:2021-04-29
Release date:2022-06-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.662 Å)
Cite:Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
3SNS
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BU of 3sns by Molmil
Crystal structure of the C-terminal domain of Escherichia coli lipoprotein BamC
Descriptor: CHLORIDE ION, Lipoprotein 34
Authors:Kim, K.H, Aulakh, S, Tan, W, Paetzel, M.
Deposit date:2011-06-29
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic analysis of the C-terminal domain of the Escherichia coli lipoprotein BamC.
Acta Crystallogr.,Sect.F, 67, 2011
7ODD
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BU of 7odd by Molmil
Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with tricine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Heat shock cognate 71 kDa protein, ...
Authors:Zehe, M, Grimm, C, Sotriffer, C.
Deposit date:2021-04-29
Release date:2022-06-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct.
Acs Chem.Biol., 2024
7QXC
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BU of 7qxc by Molmil
Recognition of Staphylococcus aureus wall teichoic acid analogue SA533 (compound 1) by Fab4461
Descriptor: (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, DI(HYDROXYETHYL)ETHER, Fab 4461 heavy chain, ...
Authors:Soriano-Maldonado, P, van Raaij, M.J.
Deposit date:2022-01-26
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.452 Å)
Cite:Antibody Recognition of Different Staphylococcus aureus Wall Teichoic Acid Glycoforms.
Acs Cent.Sci., 8, 2022
7QXE
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BU of 7qxe by Molmil
Recognition of Staphylococcus aureus wall teichoic acid analogue TB87 (compound 3) by Fab4497
Descriptor: Antibody 4497 light chain, Antibody Fab 4497 heavy chain, CHLORIDE ION, ...
Authors:Soriano-Maldonado, P, van Raaij, M.J.
Deposit date:2022-01-26
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Antibody Recognition of Different Staphylococcus aureus Wall Teichoic Acid Glycoforms.
Acs Cent.Sci., 8, 2022
7QXD
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BU of 7qxd by Molmil
Recognition of Staphylococcus aureus wall teichoic acid analogue SA475 (compound 2) by Fab4497
Descriptor: Antibody Fab 4497 heavy chain, Antibody Fab 4497 light chain, DI(HYDROXYETHYL)ETHER, ...
Authors:Soriano-Maldonado, P, van Raaij, M.J.
Deposit date:2022-01-26
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.649 Å)
Cite:Antibody Recognition of Different Staphylococcus aureus Wall Teichoic Acid Glycoforms.
Acs Cent.Sci., 8, 2022
7OF9
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BU of 7of9 by Molmil
Keap1 kelch domain bound to a small molecule fragment
Descriptor: DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, [(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2021-05-04
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
7X0L
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BU of 7x0l by Molmil
Crystal structure of sugar binding protein CbpB complexed wtih cellotetraose from Clostridium thermocellum
Descriptor: CbpB, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
7X0H
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BU of 7x0h by Molmil
Crystal structure of sugar binding protein CbpA complexed wtih glucose from Clostridium thermocellum
Descriptor: CbpA, beta-D-glucopyranose
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
7X0P
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BU of 7x0p by Molmil
Crystal structure of sugar binding protein CbpD from Clostridium thermocellum
Descriptor: CbpD
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
3SHI
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BU of 3shi by Molmil
Crystal structure of human MMP1 catalytic domain at 2.2 A resolution
Descriptor: CALCIUM ION, Interstitial collagenase, ZINC ION
Authors:Bertini, I, Calderone, V, Cerofolini, L, Fragai, M, Geraldes, C.F.G.C, Hermann, P, Luchinat, C, Parigi, G, Teixeira, J.
Deposit date:2011-06-16
Release date:2011-09-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The catalytic domain of MMP-1 studied through tagged lanthanides.
Febs Lett., 586, 2012
7X0K
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BU of 7x0k by Molmil
Crystal structure of sugar binding protein CbpB complexed wtih cellotriose from Clostridium thermocellum
Descriptor: CpbB, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2022-11-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
7QXJ
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BU of 7qxj by Molmil
Solution structure of Tk-hefu-11
Descriptor: Tk-hefu-11
Authors:Mineev, K.S, Lushpa, V.A, Vassilevski, A.A, Gigolaev, A.M.
Deposit date:2022-01-26
Release date:2022-09-21
Last modified:2022-11-16
Method:SOLUTION NMR
Cite:Artificial pore blocker acts specifically on voltage-gated potassium channel isoform K V 1.6.
J.Biol.Chem., 298, 2022
7OFD
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BU of 7ofd by Molmil
Keap1 kelch domain bound to a small molecule fragment
Descriptor: 6-fluoranyl-2-methyl-quinolin-4-ol, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2021-05-04
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
7X0G
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BU of 7x0g by Molmil
Crystal structure of sugar binding protein CbpA from Clostridium thermocellum
Descriptor: CbpA
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
7QZP
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BU of 7qzp by Molmil
Identification and characterization of an RRM-containing, ELAV-like, RNA binding protein in Acinetobacter Baumannii
Descriptor: Hypothetical RNA binding protein from Acinetobacter baumannii
Authors:Ciani, C, Perez-Rafols, A, Bonomo, I, Micaelli, M, Esposito, A, Zucal, C, Belli, R, D'Agostino, V.G, Bianconi, I, Calderone, V, Cerofolini, L, Fragai, M, Provenzani, A.
Deposit date:2022-01-31
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification and Characterization of an RRM-Containing, RNA Binding Protein in Acinetobacter baumannii .
Biomolecules, 12, 2022
7X0O
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BU of 7x0o by Molmil
Crystal structure of sugar binding protein CbpC from Clostridium thermocellum
Descriptor: CbpC
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
3TGO
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BU of 3tgo by Molmil
Crystal structure of the E. coli BamCD complex
Descriptor: CHLORIDE ION, GLYCEROL, Lipoprotein 34, ...
Authors:Paetzel, M, Kim, K.H, Aulakh, S.
Deposit date:2011-08-17
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of the beta-barrel assembly machinery BamCD protein complex
J.Biol.Chem., 286, 2011
7OFA
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BU of 7ofa by Molmil
Keap1 kelch domain bound to a small molecule fragment
Descriptor: 2,6-bis(chloranyl)-5-fluoranyl-pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2021-05-04
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
7X0Q
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BU of 7x0q by Molmil
Crystal structure of ATPase Clo1313_2554 from Clostridium thermocellum
Descriptor: ABC transporter related protein
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
7X0R
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BU of 7x0r by Molmil
Crystal structure of substrate binding protein Lbp complexed wtih guanosine from Clostridium thermocellum
Descriptor: GUANOSINE, Lbp, ZINC ION
Authors:Dong, S, Yao, X, Feng, Y.
Deposit date:2022-02-22
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Deciphering Cellodextrin and Glucose Uptake in Clostridium thermocellum.
Mbio, 13, 2022
7OFF
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BU of 7off by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: (2~{R})-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]-2-phenyl-ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2021-05-04
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022
7OFE
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BU of 7ofe by Molmil
Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction
Descriptor: 2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ...
Authors:Narayanan, D, Bach, A, Gajhede, M.
Deposit date:2021-05-04
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery.
J.Med.Chem., 65, 2022

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PDB entries from 2024-07-17

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