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8I43
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BU of 8i43 by Molmil
Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-C-3GC-uucg
Authors:Ichijo, R, Kamimura, T, Kawai, G.
Deposit date:2023-01-18
Release date:2023-03-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
8I44
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BU of 8i44 by Molmil
Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-C-3AU-uucg
Authors:Ichijo, R, Kamimura, T, Kawai, G.
Deposit date:2023-01-18
Release date:2023-03-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
8I45
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BU of 8i45 by Molmil
Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-G-3GC-uucg
Authors:Ichijo, R, Kamimura, T, Kawai, G.
Deposit date:2023-01-18
Release date:2023-03-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
8I46
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BU of 8i46 by Molmil
Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
Descriptor: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-G-3AU-uucg
Authors:Ichijo, R, Kamimura, T, Kawai, G.
Deposit date:2023-01-18
Release date:2023-03-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
4WVF
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BU of 4wvf by Molmil
Crystal structure of KPT276 in complex with CRM1-Ran-RanBP1
Descriptor: (2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Sun, Q, Chook, Y.
Deposit date:2014-11-05
Release date:2015-07-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Nuclear export inhibitors avert progression in preclinical models of inflammatory demyelination.
Nat.Neurosci., 18, 2015
7P3M
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BU of 7p3m by Molmil
Solution structures of HIV-1 and SIVmac p6 and their interaction with accessory proteins Vpr and Vpx in the presence of DPC micelles
Descriptor: Gag polyprotein
Authors:Wang, X, Nonin-Lecomte, S, Bouaziz, S.
Deposit date:2021-07-08
Release date:2023-01-18
Last modified:2024-03-27
Method:SOLUTION NMR
Cite:Solution structures of HIV-1 and SIVmac p6 and their interaction with accessory proteins Vpr and Vpx in the presence of DPC micelles
To Be Published
1EFR
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BU of 1efr by Molmil
BOVINE MITOCHONDRIAL F1-ATPASE COMPLEXED WITH THE PEPTIDE ANTIBIOTIC EFRAPEPTIN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BOVINE MITOCHONDRIAL F1-ATPASE SUBUNIT ALPHA, BOVINE MITOCHONDRIAL F1-ATPASE SUBUNIT BETA, ...
Authors:Abrahams, J.P, Buchanan, S.K, Van Raaij, M.J, Fearnley, I.M, Leslie, A.G.W, Walker, J.E.
Deposit date:1996-05-24
Release date:1997-02-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The Structure of Bovine F1-ATPase Complexed with the Peptide Antibiotic Efrapeptin.
Proc.Natl.Acad.Sci.USA, 93, 1996
4UZ3
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BU of 4uz3 by Molmil
Crystal structure of the N-terminal LysM domains from the putative NlpC/P60 D,L endopeptidase from T. thermophilus bound to N-acetyl-chitohexaose
Descriptor: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, ...
Authors:Wong, J.E.M.M, Blaise, M.
Deposit date:2014-09-04
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An Intermolecular Binding Mechanism Involving Multiple Lysm Domains Mediates Carbohydrate Recognition by an Endopeptidase.
Acta Crystallogr.,Sect.D, 71, 2015
8EU0
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BU of 8eu0 by Molmil
Ancestral PETase 35_442 Mutant E27Q
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Polyethylene terephthalate hydrolase, ...
Authors:Saunders, J.W, Frkic, R.L, Jackson, C.J.
Deposit date:2022-10-18
Release date:2023-11-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Ancestral PETase 35_442 Mutant E27Q
To Be Published
4WI2
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BU of 4wi2 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc (wild-type)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI7
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BU of 4wi7 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H435A
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WI5
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BU of 4wi5 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H310A
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
7TL5
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BU of 7tl5 by Molmil
Crystal structure of putative hydrolase yjcS from Klebsiella pneumoniae.
Descriptor: 1,2-ETHANEDIOL, Lactamase_B domain-containing protein
Authors:Chang, C, Endres, M, Wu, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-01-18
Release date:2022-02-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
4WI6
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BU of 4wi6 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation N434A
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
4WO4
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BU of 4wo4 by Molmil
The molecular bases of Delta/Alpha beta T cell-mediated antigen recognition.
Descriptor: (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 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:Pellicci, D.G, Uldrich, A.P, Le Nours, J, Ross, F, Chabrol, E, Eckle, S.B.G, de Boer, R, Lim, R.T, McPherson, K, Besra, G, Howell, A.R, Moretta, L, McCluskey, J, Heemskerk, M.H.M, Gras, S, Rossjohn, J, Godfrey, D.I.
Deposit date:2014-10-15
Release date:2014-11-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The molecular bases of delta / alpha beta T cell-mediated antigen recognition.
J.Exp.Med., 211, 2014
4WI4
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BU of 4wi4 by Molmil
Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation S254A
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region
Authors:Farrugia, W, Burvenich, I.J.G, Scott, A.M, Ramsland, P.A.
Deposit date:2014-09-25
Release date:2015-09-30
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice
To Be Published
8FWH
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BU of 8fwh by Molmil
Crystal structure of bivalent antibody Fab fragment of Anti-human LAG3 (22D2)
Descriptor: 1,2-ETHANEDIOL, Anti-human LAG3 (22D2) heavy chain, Anti-human LAG3 (22D2) light chain
Authors:Mishra, A.K, Agnihotri, P, Mariuzza, R.A.
Deposit date:2023-01-22
Release date:2023-09-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.833 Å)
Cite:CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 determined using a bivalent Fab as fiducial marker.
Structure, 31, 2023
8PNH
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BU of 8pnh by Molmil
Chorismate mutase
Descriptor: 3-PHENYLPYRUVIC ACID, 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, Bifunctional cyclohexadienyl dehydratase/chorismate mutase from Janthinobacterium sp. HH01, ...
Authors:Khatanbaatar, T, Cordara, G, Krengel, U.
Deposit date:2023-06-30
Release date:2024-07-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chorismate mutase
To Be Published
7UNI
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BU of 7uni by Molmil
De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester, SP2-ZnPPaM
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, SP2-ZnPPaM designed chlorophyll dimer protein, ...
Authors:Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
8EC1
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BU of 8ec1 by Molmil
5'-CGCGAATTCGCG-3' and benzimidazole diamidine (DB1476) comlpex with ligand orientation I
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-08-31
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
9VVN
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BU of 9vvn by Molmil
Crystal structure of computationally designed protein VTP-4
Descriptor: 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, VTP-4
Authors:Tang, X, Li, Y.H, Xu, Y.L, Kou, L.Y, Ji, P.F.
Deposit date:2025-07-16
Release date:2025-08-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Computational design of verteporfin binding protein
To Be Published
1EKF
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BU of 1ekf by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL) COMPLEXED WITH PYRIDOXAL-5'-PHOSPHATE AT 1.95 ANGSTROMS (ORTHORHOMBIC FORM)
Descriptor: BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL), PYRIDOXAL-5'-PHOSPHATE
Authors:Yennawar, N.H, Dunbar, J.H, Conway, M, Hutson, S.M, Farber, G.K.
Deposit date:2000-03-08
Release date:2001-03-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The structure of human mitochondrial branched-chain aminotransferase.
Acta Crystallogr.,Sect.D, 57, 2001
1EWQ
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BU of 1ewq by Molmil
CRYSTAL STRUCTURE TAQ MUTS COMPLEXED WITH A HETERODUPLEX DNA AT 2.2 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*AP*CP*GP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*CP*TP*CP*GP*TP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*GP*AP*GP*CP*CP*GP*CP*CP*GP*CP*TP*AP*GP*CP*GP*TP*CP*G)-3'), ...
Authors:Obmolova, G, Ban, C, Hsieh, P, Yang, W.
Deposit date:2000-04-26
Release date:2000-10-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of mismatch repair protein MutS and its complex with a substrate DNA.
Nature, 407, 2000
102D
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BU of 102d by Molmil
SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH PROPAMIDINE
Descriptor: 1,3-BIS(AMIDINOPHENOXY)PROPANE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Nunn, C.M, Neidle, S.
Deposit date:1994-12-15
Release date:1995-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sequence-dependent drug binding to the minor groove of DNA: crystal structure of the DNA dodecamer d(CGCAAATTTGCG)2 complexed with propamidine.
J.Med.Chem., 38, 1995
8ETX
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BU of 8etx by Molmil
Ancestral PETase 55_547
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Polyethylene terephthalate hydrolase, ...
Authors:Saunders, J.W, Frkic, R.L, Jackson, C.J.
Deposit date:2022-10-18
Release date:2023-11-01
Last modified:2025-06-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ancestral reconstruction of polyethylene terephthalate degrading cutinases reveals a rugged and unexplored sequence-fitness landscape.
Sci Adv, 11, 2025

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