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7OSI
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BU of 7osi by Molmil
ABC Transporter complex NosDFYL, R-domain 3
Descriptor: COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ...
Authors:Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O.
Deposit date:2021-06-08
Release date:2022-06-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
2YHY
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BU of 2yhy by Molmil
Structure of N-Acetylmannosamine kinase in complex with N- acetylmannosamine and ADP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-mannopyranose, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Martinez, J, Nguyen, L.D, Tauberger, E, Hinderlich, S, Reutter, W, Fan, H, Saenger, W, Moniot, S.
Deposit date:2011-05-10
Release date:2012-02-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structures of N-Acetylmannosamine Kinase Provide Insights Into Enzyme Specificity and Inhibition
J.Biol.Chem., 287, 2012
7GTY
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BU of 7gty by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster3
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
2YOJ
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BU of 2yoj by Molmil
HCV NS5B polymerase complexed with pyridonylindole compound
Descriptor: 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE
Authors:Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G.
Deposit date:2012-10-24
Release date:2013-10-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate
Acs Med.Chem.Lett., 5, 2014
7OSF
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BU of 7osf by Molmil
ABC Transporter complex NosDFYL, R-domain 1
Descriptor: COPPER (II) ION, Copper-binding lipoprotein NosL, MAGNESIUM ION, ...
Authors:Mueller, C, Zhang, L, Lu, W, Du, J, Einsle, O.
Deposit date:2021-06-08
Release date:2022-06-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Molecular interplay of an assembly machinery for nitrous oxide reductase.
Nature, 608, 2022
7GSX
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BU of 7gsx by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA001440b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methyl-1-benzofuran-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
6ZNU
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BU of 6znu by Molmil
MaeB PTA domain E544R mutant
Descriptor: ACETYL COENZYME *A, CHLORIDE ION, Malate dehydrogenase
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2020-07-06
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A rotary mechanism for allostery in bacterial hybrid malic enzymes.
Nat Commun, 12, 2021
7GU8
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BU of 7gu8 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster16
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GT8
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BU of 7gt8 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA001439b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloranylthiophene-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
6ZZ0
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BU of 6zz0 by Molmil
Structure of the borneol dehydrogenase of Salvia rosmarinus (apo)
Descriptor: Borneol Dehydrogenase (salvia rosmarinus) apo structure
Authors:Dimos, N, Helmer, C.P.O, Loll, B.
Deposit date:2020-08-03
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A Structural View on the Stereospecificity of Plant Borneol-Type Dehydrogenases.
Chemcatchem, 13, 2021
7GS9
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BU of 7gs9 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000631a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}-[2-(aminocarbamoyl)phenyl]ethanamide
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7OU3
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BU of 7ou3 by Molmil
Crystal structure of Tga-AGOG, an 8-oxoguanine DNA glycosylase from Thermococcus gammatolerans
Descriptor: CHLORIDE ION, GLYCEROL, N-glycosylase/DNA lyase
Authors:Coste, F, Confalonieri, F, Castaing, B.
Deposit date:2021-06-11
Release date:2022-06-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing.
Nucleic Acids Res., 50, 2022
7GT7
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BU of 7gt7 by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA001181b
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, {2-[(oxan-4-yl)oxy]phenyl}methanol
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GSE
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BU of 7gse by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000383a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
5JOV
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BU of 5jov by Molmil
Bacteroides ovatus Xyloglucan PUL GH31 with bound 5FIdoF
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-fluoro-alpha-L-idopyranose, ...
Authors:Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J.
Deposit date:2016-05-03
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
7GTK
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BU of 7gtk by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000552a
Descriptor: (4R)-2-(2-hydroxyethyl)-4-methoxy-3,4-dihydro-1lambda~6~,2-benzothiazine-1,1(2H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7D5P
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BU of 7d5p by Molmil
Structure of NorC transporter in an outward-open conformation in complex with a single-chain Indian camelid antibody
Descriptor: Drug transporter, putative, ICab, ...
Authors:Kumar, S, Athreya, A, Penmatsa, A.
Deposit date:2020-09-27
Release date:2021-06-09
Last modified:2021-07-14
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Structural basis of inhibition of a transporter from Staphylococcus aureus, NorC, through a single-domain camelid antibody.
Commun Biol, 4, 2021
7GSG
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BU of 7gsg by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000316a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl 4-sulfamoylbenzoate
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7GTP
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BU of 7gtp by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000688a
Descriptor: (4-acetylphenoxy)acetic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
7D2R
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BU of 7d2r by Molmil
Crystal structure of Agrobacterium tumefaciens aconitase X mutant - S449C/C510V
Descriptor: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, SODIUM ION, ...
Authors:Murase, Y, Watanabe, Y, Watanabe, S.
Deposit date:2020-09-17
Release date:2021-06-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Crystal structures of aconitase X enzymes from bacteria and archaea provide insights into the molecular evolution of the aconitase superfamily.
Commun Biol, 4, 2021
7GTU
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BU of 7gtu by Molmil
PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000297a
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(2-acetylphenyl)sulfanyl]benzoic acid, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-03
Release date:2024-01-24
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data.
Biorxiv, 2024
2LMQ
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BU of 2lmq by Molmil
Structural Model for a 40-residue Beta-Amyloid Fibril with Three-Fold Symmetry, Negative Stagger
Descriptor: Beta-amyloid protein 40
Authors:Tycko, R, Paravastu, A.
Deposit date:2011-12-09
Release date:2011-12-28
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:Molecular structural basis for polymorphism in Alzheimer's beta-amyloid fibrils.
Proc. Natl. Acad. Sci. U.S.A., 105, 2008
7GU2
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BU of 7gu2 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster8
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
7GU3
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BU of 7gu3 by Molmil
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster9
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Mehlman, T, Ginn, H.M, Keedy, D.A.
Deposit date:2024-01-05
Release date:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:PanDDA analysis group deposition of ground-state model
To Be Published
8OZA
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BU of 8oza by Molmil
Human cathepsin L in complex with covalently bound CA-074 methyl ester
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Cathepsin L, ...
Authors:Falke, S, Lieske, J, Guenther, S, Ewert, W, Reinke, P.Y.A, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2023-05-08
Release date:2023-07-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024

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PDB entries from 2024-08-21

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