8TS0
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8QAS
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![BU of 8qas by Molmil](/molmil-images/mine/8qas) | Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. NMR structure of Omphalotin A in methanol / water indoleOut conformation. | Descriptor: | TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | Deposit date: | 2023-08-23 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | SOLUTION NMR | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability. J.Am.Chem.Soc., 145, 2023
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4XMI
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3J3Y
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8QBC
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![BU of 8qbc by Molmil](/molmil-images/mine/8qbc) | Reactive amide intermediate in sperm whale myoglobin mutant H64V V68A | Descriptor: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tinzl, M, Mittl, P.R.E, Hilvert, D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate. J.Am.Chem.Soc., 146, 2024
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1FOI
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![BU of 1foi by Molmil](/molmil-images/mine/1foi) | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1400W(H4B-FREE) | Descriptor: | ACETATE ION, CACODYLATE ION, GLYCEROL, ... | Authors: | Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L. | Deposit date: | 2000-08-28 | Release date: | 2001-07-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors. Biochemistry, 40, 2001
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6L1S
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![BU of 6l1s by Molmil](/molmil-images/mine/6l1s) | Crystal structure of DUSP22 mutant_C88S | Descriptor: | Dual specificity protein phosphatase 22, PHOSPHATE ION | Authors: | Lai, C.H, Chang, C.C, Lyu, P.C. | Deposit date: | 2019-09-30 | Release date: | 2020-10-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3611 Å) | Cite: | Structural Insights into the Active Site Formation of DUSP22 in N-loop-containing Protein Tyrosine Phosphatases. Int J Mol Sci, 21, 2020
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8QBP
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![BU of 8qbp by Molmil](/molmil-images/mine/8qbp) | Conformations of macrocyclic peptides sampled by exact NOEs: models for cell-permeability. NMR structure of Omphalotin A in methanol / water indoleOut conformation. | Descriptor: | TRP-MVA-ILE-MVA-MVA-SAR-MVA-IML-SAR-VAL-IML-SAR | Authors: | Ruedisser, S.H, Matabaro, E, Sonderegger, L, Guentert, P, Kuenzler, M, Gossert, A.D. | Deposit date: | 2023-08-25 | Release date: | 2023-12-13 | Last modified: | 2024-01-03 | Method: | SOLUTION NMR | Cite: | Conformations of Macrocyclic Peptides Sampled by Nuclear Magnetic Resonance: Models for Cell-Permeability. J.Am.Chem.Soc., 145, 2023
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2IVU
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5ML9
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![BU of 5ml9 by Molmil](/molmil-images/mine/5ml9) | Cocrystal structure of Fc gamma receptor IIIa interacting with Affimer F4, a specific binding protein which blocks IgG binding to the receptor. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer F4 with specificity for Fc gamma receptor IIIa, CHLORIDE ION, ... | Authors: | Robinson, J.I, Tomlinson, D.C, Baxter, E.W, Owen, R.L, Thomsen, M, Win, S.J, Nettleship, J.E, Tiede, C, Foster, R.J, Waterhouse, M.P, Harris, S.A, Owens, R.J, Fishwick, C.W.G, Goldman, A, McPherson, M.J, Morgan, A.W. | Deposit date: | 2016-12-06 | Release date: | 2017-12-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Affimer proteins inhibit immune complex binding to Fc gamma RIIIa with high specificity through competitive and allosteric modes of action. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3J7W
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![BU of 3j7w by Molmil](/molmil-images/mine/3j7w) | Capsid Expansion Mechanism Of Bacteriophage T7 Revealed By Multi-State Atomic Models Derived From Cryo-EM Reconstructions | Descriptor: | Major capsid protein 10A | Authors: | Guo, F, Liu, Z, Fang, P.A, Zhang, Q, Wright, E.T, Wu, W, Zhang, C, Vago, F, Ren, Y, Jakata, J, Chiu, W, Serwer, P, Jiang, W. | Deposit date: | 2014-08-12 | Release date: | 2014-10-15 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Capsid expansion mechanism of bacteriophage T7 revealed by multistate atomic models derived from cryo-EM reconstructions. Proc.Natl.Acad.Sci.USA, 111, 2014
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4HHT
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7YRZ
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![BU of 7yrz by Molmil](/molmil-images/mine/7yrz) | Crystal structure of HCoV 229E main protease in complex with PF07321332 | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Zhou, Y.R, Zeng, P, Zhou, X.L, Lin, C, Zhang, J, Yin, X.S, Li, J. | Deposit date: | 2022-08-11 | Release date: | 2023-08-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural basis of main proteases of HCoV-229E bound to inhibitor PF-07304814 and PF-07321332. Biochem.Biophys.Res.Commun., 657, 2023
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5UDX
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![BU of 5udx by Molmil](/molmil-images/mine/5udx) | LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with zinc | Descriptor: | Lactate racemization operon protein LarE, PHOSPHATE ION, SULFATE ION, ... | Authors: | Fellner, M, Desguin, B, Hausinger, R.P, Hu, J. | Deposit date: | 2016-12-28 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.784 Å) | Cite: | Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7KHV
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![BU of 7khv by Molmil](/molmil-images/mine/7khv) | CpOGA IN COMPLEX WITH LIGAND 54 | Descriptor: | CALCIUM ION, CHLORIDE ION, N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide, ... | Authors: | Shaffer, P.L. | Deposit date: | 2020-10-22 | Release date: | 2020-12-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Diazaspirononane Nonsaccharide Inhibitors of O-GlcNAcase (OGA) for the Treatment of Neurodegenerative Disorders. J.Med.Chem., 63, 2020
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5MG2
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![BU of 5mg2 by Molmil](/molmil-images/mine/5mg2) | Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe | Descriptor: | 1,2-ETHANEDIOL, 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Transcription initiation factor TFIID subunit 1 | Authors: | Tallant, C, Bouche, L, Holton, S.J, Fedorov, O, Siejka, P, Picaud, S, Krojer, T, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hartung, I.V, Haendler, B, Muller, S, Huber, K.V.M, Structural Genomics Consortium (SGC) | Deposit date: | 2016-11-20 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains. J. Med. Chem., 60, 2017
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8QBA
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![BU of 8qba by Molmil](/molmil-images/mine/8qba) | Sperm whale myoblogin mutant H64V V68A in complex with glycine ethyl ester | Descriptor: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tinzl, M, Mittl, P.R.E, Hilvert, D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate. J.Am.Chem.Soc., 146, 2024
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8POG
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5MMX
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![BU of 5mmx by Molmil](/molmil-images/mine/5mmx) | ABA RECEPTOR FROM CITRUS, CSPYL1 | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, CSPYL1_ABA | Authors: | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Moreno-Alvero, M. | Deposit date: | 2016-12-12 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.882 Å) | Cite: | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor. Mol Plant, 10, 2017
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1BX7
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![BU of 1bx7 by Molmil](/molmil-images/mine/1bx7) | HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.2 ANGSTROMS | Descriptor: | HIRUSTASIN, SULFATE ION | Authors: | Uson, I, Sheldrick, G.M, De La Fortelle, E, Bricogne, G, Di Marco, S, Priestle, J.P, Gruetter, M.G, Mittl, P.R.E. | Deposit date: | 1998-10-14 | Release date: | 1999-04-27 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The 1.2 A crystal structure of hirustasin reveals the intrinsic flexibility of a family of highly disulphide-bridged inhibitors. Structure Fold.Des., 7, 1999
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8POC
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![BU of 8poc by Molmil](/molmil-images/mine/8poc) | Cryo-EM structure of Dickeya dadantii BcsD | Descriptor: | Cellulose synthase operon protein D | Authors: | Notopoulou, A, Krasteva, P.V. | Deposit date: | 2023-07-04 | Release date: | 2023-12-20 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structures and roles of BcsD and partner scaffold proteins in proteobacterial cellulose secretion. Curr.Biol., 34, 2024
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8PKD
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7VEO
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![BU of 7veo by Molmil](/molmil-images/mine/7veo) | Crystal structure of juvenile hormone acid methyltransferase silkworm JHAMT isoform3 complex with S-Adenosyl-L-homocysteine | Descriptor: | Methyltranfer_dom domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Guo, P.C, Zhang, Y.S, Zhang, l, Xu, H.Y. | Deposit date: | 2021-09-09 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural characterization and functional analysis of juvenile hormone acid methyltransferase JHAMT3 from the silkworm, Bombyx mori. Insect Biochem.Mol.Biol., 151, 2022
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1N9V
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![BU of 1n9v by Molmil](/molmil-images/mine/1n9v) | Differences and Similarities in Solution Structures of Angiotensin I & II: Implication for Structure-Function Relationship. | Descriptor: | Angiotensin II | Authors: | Spyroulias, G.A, Nikolakopoulou, P, Tzakos, A, Gerothanassis, I.P, Magafa, V, Manessi-Zoupa, E, Cordopatis, P. | Deposit date: | 2002-11-26 | Release date: | 2003-07-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Comparison of the solution structures of angiotensin I & II. Implication for structure-function relationship. Eur.J.Biochem., 270, 2003
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5U6H
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![BU of 5u6h by Molmil](/molmil-images/mine/5u6h) | Solution structure of the zinc fingers 1 and 2 of MBNL1 | Descriptor: | Muscleblind-like protein 1, ZINC ION | Authors: | Phukan, P.D, Park, S, Martinez-Yamout, M.M, Zeeb, M, Dyson, H.J, Wright, P.E. | Deposit date: | 2016-12-08 | Release date: | 2017-08-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for Interaction of the Tandem Zinc Finger Domains of Human Muscleblind with Cognate RNA from Human Cardiac Troponin T. Biochemistry, 56, 2017
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