7QFH
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![BU of 7qfh by Molmil](/molmil-images/mine/7qfh) | Peptide AYFKKVL in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, AMINO GROUP, CHLORIDE ION, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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7QHJ
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![BU of 7qhj by Molmil](/molmil-images/mine/7qhj) | Peptide GAKSAA in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-12-13 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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8E3D
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![BU of 8e3d by Molmil](/molmil-images/mine/8e3d) | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#11) | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*AP*AP*CP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*AP*T)-3'), ... | Authors: | Horton, J.R, Ren, R, Cheng, X. | Deposit date: | 2022-08-17 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia. J.Biol.Chem., 299, 2023
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8E76
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![BU of 8e76 by Molmil](/molmil-images/mine/8e76) | Cryo-EM structure of Apo form ME3 | Descriptor: | NADP-dependent malic enzyme, mitochondrial | Authors: | Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J. | Deposit date: | 2022-08-23 | Release date: | 2023-02-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer. Heliyon, 8, 2022
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1FVR
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![BU of 1fvr by Molmil](/molmil-images/mine/1fvr) | TIE2 KINASE DOMAIN | Descriptor: | TYROSINE-PROTEIN KINASE TIE-2 | Authors: | Shewchuk, L.M, Hassell, A.M, Ellis, B, Holmes, W.D, Davis, R, Horne, E.L, Kadwell, S.H, McKee, D.D, Moore, J.T. | Deposit date: | 2000-09-20 | Release date: | 2001-09-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the Tie2 RTK domain: self-inhibition by the nucleotide binding loop, activation loop, and C-terminal tail. Structure Fold.Des., 8, 2000
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8E8O
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![BU of 8e8o by Molmil](/molmil-images/mine/8e8o) | Cryo-EM structure of human ME3 in the presence of citrate | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malic enzyme, mitochondrial | Authors: | Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J. | Deposit date: | 2022-08-25 | Release date: | 2023-02-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer. Heliyon, 8, 2022
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7QHK
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![BU of 7qhk by Molmil](/molmil-images/mine/7qhk) | Peptide QLRQQE in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-12-13 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. Commun Biol, 6, 2023
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7QLR
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![BU of 7qlr by Molmil](/molmil-images/mine/7qlr) | |
1FV1
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![BU of 1fv1 by Molmil](/molmil-images/mine/1fv1) | STRUCTURAL BASIS FOR THE BINDING OF AN IMMUNODOMINANT PEPTIDE FROM MYELIN BASIC PROTEIN IN DIFFERENT REGISTERS BY TWO HLA-DR2 ALLELES | Descriptor: | GLYCEROL, MAJOR HISTOCOMPATIBILITY COMPLEX ALPHA CHAIN, MAJOR HISTOCOMPATIBILITY COMPLEX BETA CHAIN, ... | Authors: | Li, H, Mariuzza, A.R, Li, Y, Martin, R. | Deposit date: | 2000-09-18 | Release date: | 2000-09-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the binding of an immunodominant peptide from myelin basic protein in different registers by two HLA-DR2 proteins. J.Mol.Biol., 304, 2000
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8E3E
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![BU of 8e3e by Molmil](/molmil-images/mine/8e3e) | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#10) | Descriptor: | DNA (5'-D(*CP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*A)-3'), ZINC ION, ... | Authors: | Horton, J.R, Ren, R, Cheng, X. | Deposit date: | 2022-08-17 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia. J.Biol.Chem., 299, 2023
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8E78
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![BU of 8e78 by Molmil](/molmil-images/mine/8e78) | Cryo-EM structure of human ME3 in the presence of citrate | Descriptor: | NADP-dependent malic enzyme, mitochondrial | Authors: | Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J. | Deposit date: | 2022-08-23 | Release date: | 2023-02-08 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.77 Å) | Cite: | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer. Heliyon, 8, 2022
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4WPI
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![BU of 4wpi by Molmil](/molmil-images/mine/4wpi) | |
1FZU
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![BU of 1fzu by Molmil](/molmil-images/mine/1fzu) | RNAse T1 V78A mutant | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, GUANYL-SPECIFIC RIBONUCLEASE T1 | Authors: | De Vos, S, Loris, R, Steyaert, J. | Deposit date: | 2000-10-04 | Release date: | 2000-10-25 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hydrophobic core manipulations in ribonuclease T1. Biochemistry, 40, 2001
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1G02
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![BU of 1g02 by Molmil](/molmil-images/mine/1g02) | Ribonuclease T1 V16S mutant | Descriptor: | CALCIUM ION, GUANOSINE-2'-MONOPHOSPHATE, GUANYL-SPECIFIC RIBONUCLEASE T1 | Authors: | De Vos, S, Loris, R, Steyaert, J. | Deposit date: | 2000-10-05 | Release date: | 2000-10-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Hydrophobic core manipulations in ribonuclease T1. Biochemistry, 40, 2001
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7QKA
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![BU of 7qka by Molmil](/molmil-images/mine/7qka) | Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7QKC
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![BU of 7qkc by Molmil](/molmil-images/mine/7qkc) | Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin | Descriptor: | Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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6PV8
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![BU of 6pv8 by Molmil](/molmil-images/mine/6pv8) | Human alpha3beta4 nicotinic acetylcholine receptor in complex with AT-1001 | Descriptor: | (3-endo)-N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gharpure, A, Teng, J, Zhuang, Y, Noviello, C.M, Walsh, R.M, Cabuco, R, Howard, R.J, Zaveri, N.T, Lindahl, E, Hibbs, R.E. | Deposit date: | 2019-07-19 | Release date: | 2019-09-11 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Agonist Selectivity and Ion Permeation in the alpha 3 beta 4 Ganglionic Nicotinic Receptor. Neuron, 104, 2019
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7QNS
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![BU of 7qns by Molmil](/molmil-images/mine/7qns) | Peptide VYEKKP in complex with human cathepsin V C25S mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | Authors: | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | Deposit date: | 2021-12-22 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Peptide VYEKKP in complex with human cathepsin V C25S mutant To Be Published
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1G63
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![BU of 1g63 by Molmil](/molmil-images/mine/1g63) | PEPTIDYL-CYSTEINE DECARBOXYLASE EPID | Descriptor: | EPIDERMIN MODIFYING ENZYME EPID, FLAVIN MONONUCLEOTIDE | Authors: | Blaesse, M, Kupke, T, Huber, R, Steinbac, S. | Deposit date: | 2000-11-03 | Release date: | 2001-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the peptidyl-cysteine decarboxylase EpiD complexed with a pentapeptide substrate. EMBO J., 19, 2000
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1G71
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![BU of 1g71 by Molmil](/molmil-images/mine/1g71) | CRYSTAL STRUCTURE OF PYROCOCCUS FURIOSUS DNA PRIMASE | Descriptor: | CHLORIDE ION, DNA PRIMASE, SULFATE ION, ... | Authors: | Augustin, M.A, Huber, R, Kaiser, J.T. | Deposit date: | 2000-11-08 | Release date: | 2001-01-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a DNA-dependent RNA polymerase (DNA primase). Nat.Struct.Biol., 8, 2001
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8DPK
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![BU of 8dpk by Molmil](/molmil-images/mine/8dpk) | |
6PS3
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![BU of 6ps3 by Molmil](/molmil-images/mine/6ps3) | XFEL beta2 AR structure by ligand exchange from Timolol to Carvedilol. | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(8H-CARBAZOL-4-YLOXY)-3-[2-(2-METHOXYPHENOXY)ETHYLAMINO]PROPAN-2-OL, CHOLESTEROL, ... | Authors: | Ishchenko, A, Stauch, B, Han, G.W, Batyuk, A, Shiriaeva, A, Li, C, Zatsepin, N.A, Weierstall, U, Liu, W, Nango, E, Nakane, T, Tanaka, R, Tono, K, Joti, Y, Iwata, S, Moraes, I, Gati, C, Cherezov, C. | Deposit date: | 2019-07-12 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Toward G protein-coupled receptor structure-based drug design using X-ray lasers. Iucrj, 6, 2019
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8SME
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![BU of 8sme by Molmil](/molmil-images/mine/8sme) | Structure of SPO1 phage Tad2 in apo state | Descriptor: | Gp34.65 | Authors: | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | Deposit date: | 2023-04-26 | Release date: | 2023-11-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Phages overcome bacterial immunity via diverse anti-defence proteins. Nature, 625, 2024
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1G84
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![BU of 1g84 by Molmil](/molmil-images/mine/1g84) | THE SOLUTION STRUCTURE OF THE C EPSILON2 DOMAIN FROM IGE | Descriptor: | IMMUNOGLOBULIN E | Authors: | McDonnell, J.M, Cowburn, D, Gould, H.J, Sutton, B.J, Calvert, R, Beavil, R.E, Beavil, A.J, Henry, A.J. | Deposit date: | 2000-11-16 | Release date: | 2001-05-16 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | The structure of the IgE Cepsilon2 domain and its role in stabilizing the complex with its high-affinity receptor FcepsilonRIalpha. Nat.Struct.Biol., 8, 2001
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8DWL
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![BU of 8dwl by Molmil](/molmil-images/mine/8dwl) | Inhibitor-3:PP1 coexpressed complex | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase PPP1R11, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit, ... | Authors: | Choy, M.S, Srivastava, G, Page, R, Peti, W. | Deposit date: | 2022-08-01 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibitor-3 inhibits Protein Phosphatase 1 via a metal binding dynamic protein-protein interaction. Nat Commun, 14, 2023
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