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Legacy flatfile-incompatible PDB entries
6TIJ
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BU of 6tij by Molmil
Structure of A. niger Fdc WT in complex with indol-2-carboxylic acid
Descriptor: 1H-indole-2-carboxylic acid, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIL
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BU of 6til by Molmil
Structure of A. niger Fdc WT in complex with FMN and 2 naphthoic acid
Descriptor: FLAVIN MONONUCLEOTIDE, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIN
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BU of 6tin by Molmil
Structure of A. niger Fdc WT in complex with FMN and indole 2 carboxylic acid
Descriptor: 1H-indole-2-carboxylic acid, FLAVIN MONONUCLEOTIDE, Ferulic acid decarboxylase 1, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIO
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BU of 6tio by Molmil
Structure of A. niger Fdc Wt in complex with FMN and benzothiophene 2 carboxylic acid
Descriptor: FLAVIN MONONUCLEOTIDE, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIX
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BU of 6tix by Molmil
Crystal structure of penicillin-binding protein 2 from Yersinia pestis in complex with mecillinam
Descriptor: 2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Peptidoglycan D,D-transpeptidase MrdA
Authors:Pankov, G, Hunter, W.N, Dawson, A.
Deposit date:2019-11-22
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of penicillin-binding protein 2 from Yersinia pestis in complex with mecillinam
To Be Published
6TJJ
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BU of 6tjj by Molmil
Structure of Cerezyme at pH 4.6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6TJK
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BU of 6tjk by Molmil
Crystal Structure of Recombinant GBA in Complex with Bis-Tris Propane.
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6TJQ
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BU of 6tjq by Molmil
Crystal Structure of Recombinant GBA in Complex with 2-Deoxy-2-fluoro-beta-D-glucopyranoside
Descriptor: (2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6TJS
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BU of 6tjs by Molmil
GSTF1 from Alopecurus myosuroides
Descriptor: Glutathione transferase
Authors:Pohl, E, Eno, R.F.M, Freitag-Pohl, S.
Deposit date:2019-11-26
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:GSTF1 from Alopecurus myosuroides
To Be Published
6TJU
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BU of 6tju by Molmil
X-ray structure of C-terminal domain of human T-cell lymphotropic virus type 1 (HTLV-1)
Descriptor: Pol protein
Authors:Barski, M, Maertens, G.N.
Deposit date:2019-11-26
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cryo-EM structure of the deltaretroviral intasome in complex with the PP2A regulatory subunit B56 gamma.
Nat Commun, 11, 2020
6TK8
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BU of 6tk8 by Molmil
GSTF1 F122T variant from Alopecurus myosuroides
Descriptor: Glutathione transferase, [(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium
Authors:Pohl, E, Eno, R.F.M, Freitag-Pohl, S, Steel, P.G.
Deposit date:2019-11-28
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:GSTF1 from Alopecurus myosuroides
To Be Published
6TKA
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BU of 6tka by Molmil
Crystal structure of human O-GlcNAc transferase bound to substrate 7 and a peptide from HCF-1 pro-repeat 2 (11-26)
Descriptor: 3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{N}-ethyl-propanamide, HCF-1 pro-repeat 2 (11-26), UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ...
Authors:Meek, R.W, Davies, G.J.
Deposit date:2019-11-28
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A Direct Fluorescent Activity Assay for Glycosyltransferases Enables Convenient High-Throughput Screening: Application to O-GlcNAc Transferase.
Angew.Chem.Int.Ed.Engl., 59, 2020
6TKB
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BU of 6tkb by Molmil
ChiLob 7/4 H2 HC-C224S F(ab')2
Descriptor: Chilob 7/4 H2 heavy chain C224S, Chilob 7/4 H2 kappa chain
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKC
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BU of 6tkc by Molmil
ChiLob 7/4 H2 HC-C225S F(ab')2
Descriptor: Chilob 7/4 H2 heavy chain C225S, Chilob 7/4 H2 kappa chain
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKD
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BU of 6tkd by Molmil
ChiLob 7/4 H2 HC-C228S F(ab')2
Descriptor: Chilob 7/4 H2 heavy chain C228S, Chilob 7/4 H2 kappa chain
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKE
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BU of 6tke by Molmil
ChiLob 7/4 H2 HC-C224S Kappa LC-C214S F(ab')2
Descriptor: ChiLob 7/4 H2 heavy chain C224S, ChiLob 7/4 H2 kappa chain C214S
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKF
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BU of 6tkf by Molmil
ChiLob 7/4 H2 HC-C225S KappaLC-C214S F(ab')2
Descriptor: ChiLob 7/4 H2 Heavy chain C225S, ChiLob 7/4 H2 Kappa light chain C214S
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKM
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BU of 6tkm by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1800)
Descriptor: Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2019-11-28
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
6TKN
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BU of 6tkn by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1000)
Descriptor: Tankyrase-2, ZINC ION, ~{N}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2019-11-28
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
6TKP
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BU of 6tkp by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1900)
Descriptor: Tankyrase-2, ZINC ION, ~{N}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2019-11-28
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
6TKQ
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BU of 6tkq by Molmil
Tankyrase 2 in complex with an inhibitor (OM-2700)
Descriptor: Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2019-11-28
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
6TKR
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BU of 6tkr by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1704)
Descriptor: Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2019-11-28
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
6TKS
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BU of 6tks by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1720)
Descriptor: Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2019-11-28
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
6TKZ
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BU of 6tkz by Molmil
Crystal structure of the DHR2 domain of DOCK10 in complex with CDC42
Descriptor: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 10, GLYCEROL, ...
Authors:Barford, D.
Deposit date:2019-11-29
Release date:2020-01-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for CDC42 and RAC activation by the dual specificity GEF DOCK10
Biorxiv, 2022
6TLU
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BU of 6tlu by Molmil
HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5-DIBROMOBENZOTRIAZOLE
Descriptor: 6,7-bis(bromanyl)-1~{H}-benzotriazole, Casein kinase II subunit alpha, SODIUM ION
Authors:Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J.
Deposit date:2019-12-03
Release date:2020-12-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021

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