6QCY
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![BU of 6qcy by Molmil](/molmil-images/mine/6qcy) | MloK1 model from single particle analysis of 2D crystals, class 2 (intermediate conformation) | Descriptor: | Cyclic nucleotide-gated potassium channel mll3241, POTASSIUM ION | Authors: | Righetto, R, Biyani, N, Kowal, J, Chami, M, Stahlberg, H. | Deposit date: | 2018-12-31 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | Retrieving high-resolution information from disordered 2D crystals by single-particle cryo-EM. Nat Commun, 10, 2019
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6Q7P
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![BU of 6q7p by Molmil](/molmil-images/mine/6q7p) | Crystal structure of OE1.2 | Descriptor: | 1,2-ETHANEDIOL, 1-PHENYLETHANONE, MAGNESIUM ION, ... | Authors: | Levy, C.W. | Deposit date: | 2018-12-13 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism. Nature, 570, 2019
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8H0P
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![BU of 8h0p by Molmil](/molmil-images/mine/8h0p) | Structure of the NMB30-NMBR and Gq complex | Descriptor: | G-alpha q, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Li, C, Xu, Y, Liu, H, Cai, H, Xu, H.E, Yin, W. | Deposit date: | 2022-09-30 | Release date: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3.15 Å) | Cite: | Molecular recognition of itch-associated neuropeptides by bombesin receptors Cell Res., 33, 2023
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8H2D
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![BU of 8h2d by Molmil](/molmil-images/mine/8h2d) | |
6Q7R
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![BU of 6q7r by Molmil](/molmil-images/mine/6q7r) | |
6Q9P
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![BU of 6q9p by Molmil](/molmil-images/mine/6q9p) | Crystal structure of human Arginase-1 at pH 9.0 in complex with ABH | Descriptor: | 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, MANGANESE (II) ION, ... | Authors: | Grobben, Y, Uitdehaag, J.C.M, Zaman, G.J.R. | Deposit date: | 2018-12-18 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural insights into human Arginase-1 pH dependence and its inhibition by the small molecule inhibitor CB-1158. J Struct Biol X, 4, 2020
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6QD2
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![BU of 6qd2 by Molmil](/molmil-images/mine/6qd2) | MloK1 model from single particle analysis of 2D crystals, class 6 (intermediate compact conformation) | Descriptor: | Cyclic nucleotide-gated potassium channel mll3241, POTASSIUM ION | Authors: | Righetto, R, Biyani, N, Kowal, J, Chami, M, Stahlberg, H. | Deposit date: | 2018-12-31 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Retrieving high-resolution information from disordered 2D crystals by single-particle cryo-EM. Nat Commun, 10, 2019
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7FJR
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![BU of 7fjr by Molmil](/molmil-images/mine/7fjr) | Structure of a mutant of OspA | Descriptor: | DI(HYDROXYETHYL)ETHER, Outer surface protein A | Authors: | Shiga, S, Makabe, K. | Deposit date: | 2021-08-04 | Release date: | 2022-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | beta-Strand-mediated Domain-swapping in the Absence of Hydrophobic Core Repacking. J.Mol.Biol., 436, 2024
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2W6W
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![BU of 2w6w by Molmil](/molmil-images/mine/2w6w) | Crystal structure of recombinant Sperm Whale Myoglobin under 1atm of Xenon | Descriptor: | GLYCEROL, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Miele, A.E, Draghi, F, Renzi, F, Sciara, G, Johnson, K.A, Vallone, B, Brunori, M, Savino, C. | Deposit date: | 2008-12-19 | Release date: | 2009-04-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Pattern of Cavities in Globins: The Case of Human Hemoglobin. Biopolymers, 91, 2009
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7FQT
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![BU of 7fqt by Molmil](/molmil-images/mine/7fqt) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000293a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-19 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRP
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![BU of 7frp by Molmil](/molmil-images/mine/7frp) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with XST00000245b | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-24 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQV
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![BU of 7fqv by Molmil](/molmil-images/mine/7fqv) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with XST00000847b | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N,N-dimethylpyridin-4-amine, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-19 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQM
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![BU of 7fqm by Molmil](/molmil-images/mine/7fqm) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000619a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-19 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRT
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![BU of 7frt by Molmil](/molmil-images/mine/7frt) | PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster 1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-26 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRE
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![BU of 7fre by Molmil](/molmil-images/mine/7fre) | PanDDA analysis group deposition -- Crystal structure of PTP1B after initial refinement with no ligand modeled | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-20 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQU
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![BU of 7fqu by Molmil](/molmil-images/mine/7fqu) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000470b | Descriptor: | (3-chlorophenoxy)acetic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-19 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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8BFU
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![BU of 8bfu by Molmil](/molmil-images/mine/8bfu) | Crystal structure of the apo p110alpha catalytic subunit from homo sapiens | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L. | Deposit date: | 2022-10-26 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration. Nature, 618, 2023
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7FRU
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![BU of 7fru by Molmil](/molmil-images/mine/7fru) | PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster 2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-26 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRF
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![BU of 7frf by Molmil](/molmil-images/mine/7frf) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000089a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl 3-(methylsulfonylamino)benzoate | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-24 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQS
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![BU of 7fqs by Molmil](/molmil-images/mine/7fqs) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000555a | Descriptor: | (2R,5R,6S)-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-19 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQX
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![BU of 7fqx by Molmil](/molmil-images/mine/7fqx) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000601a | Descriptor: | 1-(3,4-dimethoxyphenyl)methanamine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-19 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRH
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![BU of 7frh by Molmil](/molmil-images/mine/7frh) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z2856434762 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N,N-dimethylpyridin-4-amine, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-24 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRI
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![BU of 7fri by Molmil](/molmil-images/mine/7fri) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z321318226 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-24 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQO
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![BU of 7fqo by Molmil](/molmil-images/mine/7fqo) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000523a | Descriptor: | (1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-19 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQY
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![BU of 7fqy by Molmil](/molmil-images/mine/7fqy) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000278a | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine | Authors: | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | Deposit date: | 2022-10-19 | Release date: | 2022-11-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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