7QFF
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![BU of 7qff by Molmil](/molmil-images/mine/7qff) | Peptide VACKSSQP in complex with human cathepsin V C25A mutant | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-VAL-ALA-CYS-LYS, 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 (1.5 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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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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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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8RFK
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![BU of 8rfk by Molmil](/molmil-images/mine/8rfk) | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - single mutant pH8 | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, Quinoprotein glucose dehydrogenase B | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | Deposit date: | 2023-12-13 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2? Biosci.Rep., 44, 2024
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5YCU
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![BU of 5ycu by Molmil](/molmil-images/mine/5ycu) | Domain swapped dimer of engineered hairpin loop1 mutant in Single-chain Monellin | Descriptor: | Single chain monellin | Authors: | Surana, P, Nandwani, N, Udgaonkar, J.B, Gosavi, S, Das, R. | Deposit date: | 2017-09-08 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | A five-residue motif for the design of domain swapping in proteins. Nat Commun, 10, 2019
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8POO
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5YEM
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![BU of 5yem by Molmil](/molmil-images/mine/5yem) | CATPO mutant - T188F | Descriptor: | CALCIUM ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Yuzugullu Karakus, Y, Balci, S, Goc, G, Pearson, A.R, Yorke, B. | Deposit date: | 2017-09-18 | Release date: | 2018-07-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Investigation of how gate residues in the main channel affect the catalytic activity of Scytalidium thermophilum catalase. Acta Crystallogr D Struct Biol, 80, 2024
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6ZYM
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![BU of 6zym by Molmil](/molmil-images/mine/6zym) | Human C Complex Spliceosome - High-resolution CORE | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, Cell division cycle 5-like protein, Corepressor interacting with RBPJ 1, ... | Authors: | Bertram, K, Kastner, B. | Deposit date: | 2020-08-02 | Release date: | 2020-10-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural Insights into the Roles of Metazoan-Specific Splicing Factors in the Human Step 1 Spliceosome. Mol.Cell, 80, 2020
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6VBO
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6FF4
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![BU of 6ff4 by Molmil](/molmil-images/mine/6ff4) | human Bact spliceosome core structure | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, BUD13 homolog, Cell division cycle 5-like protein, ... | Authors: | Haselbach, D, Komarov, I, Agafonov, D, Hartmuth, K, Graf, B, Kastner, B, Luehrmann, R, Stark, H. | Deposit date: | 2018-01-03 | Release date: | 2018-08-29 | Last modified: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure and Conformational Dynamics of the Human Spliceosomal BactComplex. Cell, 172, 2018
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8RE0
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![BU of 8re0 by Molmil](/molmil-images/mine/8re0) | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - double mutant pH8 | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ... | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | Deposit date: | 2023-12-09 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2? Biosci.Rep., 44, 2024
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8RG1
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![BU of 8rg1 by Molmil](/molmil-images/mine/8rg1) | Soluble glucose dehydrogenase from acinetobacter calcoaceticus - wild type pH8 | Descriptor: | 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ... | Authors: | Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A. | Deposit date: | 2023-12-13 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2? Biosci.Rep., 44, 2024
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8QVD
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![BU of 8qvd by Molmil](/molmil-images/mine/8qvd) | Deinococcus aerius TR0125 C-glucosyl deglycosidase (CGD), wild type crystal cryoprotected with glycerol | Descriptor: | CADMIUM ION, DUF6379 domain-containing protein, Xylose isomerase-like TIM barrel domain-containing protein | Authors: | Furlanetto, V, Kalyani, D.C, Kostelac, A, Haltrich, D, Hallberg, B.M, Divne, C. | Deposit date: | 2023-10-17 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and Functional Characterization of a Gene Cluster Responsible for Deglycosylation of C-glucosyl Flavonoids and Xanthonoids by Deinococcus aerius. J.Mol.Biol., 436, 2024
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6SUO
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![BU of 6suo by Molmil](/molmil-images/mine/6suo) | ERa_L536S (L536S/C381S/C471S,C530S) in complex with a tricyclic indole (compound 6) | Descriptor: | (~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2019-09-16 | Release date: | 2019-10-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry. Acs Med.Chem.Lett., 10, 2019
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8U7E
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![BU of 8u7e by Molmil](/molmil-images/mine/8u7e) | Structure of Sts-1 HP domain with rebamipide derivative | Descriptor: | N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine, Ubiquitin-associated and SH3 domain-containing protein B | Authors: | Aziz, F, Dey, R, French, J.B. | Deposit date: | 2023-09-15 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins. J.Med.Chem., 67, 2024
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8OHX
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![BU of 8ohx by Molmil](/molmil-images/mine/8ohx) | Crystal structure of Beta-glucuronidase from Escherichia coli in complex with siastatin B derived inhibitor | Descriptor: | (3~{S},4~{S},5~{S},6~{R})-4,5,6-tris(oxidanyl)piperidine-3-carboxylic acid, Beta-D-glucuronidase | Authors: | Armstrong, Z, Yurong, C, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2023-03-21 | Release date: | 2024-01-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B. J.Am.Chem.Soc., 146, 2024
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7ABF
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![BU of 7abf by Molmil](/molmil-images/mine/7abf) | Human pre-Bact-1 spliceosome core structure | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, GUANOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, ... | Authors: | Townsend, C, Kastner, B, Leelaram, M.N, Bertram, K, Stark, H, Luehrmann, R. | Deposit date: | 2020-09-07 | Release date: | 2020-12-09 | Last modified: | 2020-12-30 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation. Science, 370, 2020
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5K6O
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6TOG
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![BU of 6tog by Molmil](/molmil-images/mine/6tog) | Crystal structure of human BCL6 BTB domain in complex with compound 5 | Descriptor: | 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... | Authors: | Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2019-12-11 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J.Med.Chem., 63, 2020
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8ACY
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![BU of 8acy by Molmil](/molmil-images/mine/8acy) | X-ray structure of Na+-NQR from Vibrio cholerae at 3.5 A resolution | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Fritz, G. | Deposit date: | 2022-07-07 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Conformational coupling of redox-driven Na + -translocation in Vibrio cholerae NADH:quinone oxidoreductase. Nat.Struct.Mol.Biol., 30, 2023
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7AAV
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![BU of 7aav by Molmil](/molmil-images/mine/7aav) | Human pre-Bact-2 spliceosome core structure | Descriptor: | 116 kDa U5 small nuclear ribonucleoprotein component, Cell division cycle 5-like protein, D-chiro inositol hexakisphosphate, ... | Authors: | Townsend, C, Kastner, B, Leelaram, M.N, Bertram, K, Stark, H, Luehrmann, R. | Deposit date: | 2020-09-04 | Release date: | 2020-12-09 | Last modified: | 2020-12-30 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Mechanism of protein-guided folding of the active site U2/U6 RNA during spliceosome activation. Science, 370, 2020
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8H67
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![BU of 8h67 by Molmil](/molmil-images/mine/8h67) | type I-B Cascade bound to a PAM-containing dsDNA target at 3.8 angstrom resolution. | Descriptor: | CRISPR RNA, CRISPR associated protein Cas11b, CRISPR associated protein Cas5, ... | Authors: | Xiao, Y, Lu, M, Yu, C, Zhang, Y. | Deposit date: | 2022-10-15 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure and genome editing of type I-B CRISPR-Cas. Nat Commun, 15, 2024
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3OL2
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![BU of 3ol2 by Molmil](/molmil-images/mine/3ol2) | Receptor-ligand structure of Human Semaphorin 4D with Plexin B1. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-B1, ... | Authors: | Janssen, B.J.C, Robinson, R.A, Perez-Branguli, F, Bell, C.H, Mitchell, C.J, Siebold, C, Jones, E.Y. | Deposit date: | 2010-08-25 | Release date: | 2010-10-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural basis of semaphorin-plexin signalling. Nature, 467, 2010
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4WP4
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![BU of 4wp4 by Molmil](/molmil-images/mine/4wp4) | Hev b 6.02 (hevein) extracted from surgical gloves | Descriptor: | Pro-hevein, THIOUREA | Authors: | Galicia, C, Rodriguez-Romero, A. | Deposit date: | 2014-10-17 | Release date: | 2015-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Impact of the vulcanization process on the structural characteristics and IgE recognition of two allergens, Hev b 2 and Hev b 6.02, extracted from latex surgical gloves. Mol.Immunol., 65, 2015
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