4UFB
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![BU of 4ufb by Molmil](/molmil-images/mine/4ufb) | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Lys-Pro | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, CHLORIDE ION, ... | Authors: | Masuyer, G, Douglas, R.G, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2015-03-16 | Release date: | 2015-10-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Ac-Sdkp Hydrolysis by Angiotensin-I Converting Enzyme Sci.Rep., 5, 2015
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8SF1
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![BU of 8sf1 by Molmil](/molmil-images/mine/8sf1) | Carbonic anhydrase II XFEL radiation damage RT | Descriptor: | Carbonic anhydrase 2, ZINC ION | Authors: | Combs, J.E, Mckenna, R. | Deposit date: | 2023-04-10 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
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4UFA
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![BU of 4ufa by Molmil](/molmil-images/mine/4ufa) | Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with Ac-SD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN-CONVERTING ENZYME, ... | Authors: | Masuyer, G, Douglas, R.G, Sturrock, E.D, Acharya, K.R. | Deposit date: | 2015-03-16 | Release date: | 2015-10-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Ac-Sdkp Hydrolysis by Angiotensin-I Converting Enzyme Sci.Rep., 5, 2015
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4ULL
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![BU of 4ull by Molmil](/molmil-images/mine/4ull) | SOLUTION NMR STRUCTURE OF VEROTOXIN-1 B-SUBUNIT FROM E. COLI, 5 STRUCTURES | Descriptor: | Shiga toxin 1B | Authors: | Richardson, J.M, Evans, P.D, Homans, S.W, Donohue-Rolfe, A. | Deposit date: | 1996-12-17 | Release date: | 1997-04-01 | Last modified: | 2019-12-11 | Method: | SOLUTION NMR | Cite: | Solution structure of the carbohydrate-binding B-subunit homopentamer of verotoxin VT-1 from E. coli. Nat.Struct.Biol., 4, 1997
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8SAF
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![BU of 8saf by Molmil](/molmil-images/mine/8saf) | |
8S03
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![BU of 8s03 by Molmil](/molmil-images/mine/8s03) | NMR solution structure of the CysD2 domain of MUC2 | Descriptor: | CALCIUM ION, Mucin-2 | Authors: | Recktenwald, C, Karlsson, B.G, Garcia-Bonnete, M.-J, Katona, G, Jensen, M, Lymer, R, Baeckstroem, M, Johansson, M.E.V, Hansson, G.C, Trillo-Muyo, S. | Deposit date: | 2024-02-13 | Release date: | 2024-04-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of the second CysD domain of MUC2 and role in mucin organization by transglutaminase-based cross-linking. Cell Rep, 43, 2024
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4UI2
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![BU of 4ui2 by Molmil](/molmil-images/mine/4ui2) | Crystal structure of the ternary RGMB-BMP2-NEO1 complex | Descriptor: | ACETATE ION, BONE MORPHOGENETIC PROTEIN 2, BMP2, ... | Authors: | Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C. | Deposit date: | 2015-03-27 | Release date: | 2015-05-06 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein. Nat.Struct.Mol.Biol., 22, 2015
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4UFZ
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![BU of 4ufz by Molmil](/molmil-images/mine/4ufz) | Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, DNA LIGASE | Authors: | Murphy-Benenato, K.E, Boriack-Sjodin, P.A, Martinez-Botella, G, Carcanague, D, Gingipali, L, Gowravaram, M, Harang, J, Hale, M, Ioannidis, G, Jahic, H, Johnstone, M, Kutschke, A, Laganas, V.A, Loch, J, Oguto, H, Patel, S.J. | Deposit date: | 2015-03-20 | Release date: | 2015-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development. Bioorg.Med.Chem.Lett., 25, 2015
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4UQY
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![BU of 4uqy by Molmil](/molmil-images/mine/4uqy) | Coevolution of the ATPase ClpV, the TssB-TssC Sheath and the Accessory HsiE Protein Distinguishes Two Type VI Secretion Classes | Descriptor: | HSIB1, HSIE1 | Authors: | Forster, A, Planamente, S, Manoli, E, Lossi, N.S, Freemont, P.S, Filloux, A. | Deposit date: | 2014-06-25 | Release date: | 2014-10-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Coevolution of the ATPase Clpv, the Sheath Proteins Tssb and Tssc and the Accessory Protein Tagj/Hsie1 Distinguishes Type Vi Secretion Classes. J.Biol.Chem., 289, 2014
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4UUO
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![BU of 4uuo by Molmil](/molmil-images/mine/4uuo) | |
4W1U
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4UYI
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![BU of 4uyi by Molmil](/molmil-images/mine/4uyi) | Crystal structure of the BTB domain of human SLX4 (BTBD12) | Descriptor: | STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4 | Authors: | Pinkas, D.M, Sanvitale, C.E, Strain-Damerell, C, Fairhead, M, Wang, D, Tallant, C, Cooper, C.D.O, Sorrell, F.J, Kopec, J, Chaikuad, A, Fitzpatrick, F, Pike, A.C.W, Hozjan, V, Ying, Z, Roos, A.K, Savitsky, P, Bradley, A, Nowak, R, Filippakopoulos, P, Krojer, T, Burgess-Brown, N.A, Marsden, B.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2014-09-01 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal Structure of the Btb Domain of Human Slx4 (Btbd12) To be Published
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8SVN
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![BU of 8svn by Molmil](/molmil-images/mine/8svn) | Crystal structure of the apo form of pregnane X receptor ligand binding domain | Descriptor: | Pregnane X receptor ligand binding domain fused to SRC-1 coactivator peptide | Authors: | Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T. | Deposit date: | 2023-05-17 | Release date: | 2024-05-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nat Commun, 15, 2024
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8SG3
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4UCS
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![BU of 4ucs by Molmil](/molmil-images/mine/4ucs) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UCO
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![BU of 4uco by Molmil](/molmil-images/mine/4uco) | Fragment bound to H.influenza NAD dependent DNA ligase | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | Deposit date: | 2014-12-04 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors Tetrahedron Lett., 56, 2015
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4UTQ
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![BU of 4utq by Molmil](/molmil-images/mine/4utq) | A structural model of the active ribosome-bound membrane protein insertase YidC | Descriptor: | ATP SYNTHASE SUBUNIT C, MEMBRANE PROTEIN INSERTASE YIDC | Authors: | Wickles, S, Singharoy, A, Andreani, J, Seemayer, S, Bischoff, L, Berninghausen, O, Soeding, J, Schulten, K, vanderSluis, E.O, Beckmann, R. | Deposit date: | 2014-07-22 | Release date: | 2014-07-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | A Structural Model of the Active Ribosome-Bound Membrane Protein Insertase Yidc. Elife, 3, 2014
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4WK9
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![BU of 4wk9 by Molmil](/molmil-images/mine/4wk9) | Crystal structure of human chitotriosidase-1 catalytic domain in complex with chitobiose (0.3mM) at 1.10 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitotriosidase-1 | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | Deposit date: | 2014-10-02 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.102 Å) | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM. Acta Crystallogr.,Sect.D, 71, 2015
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8THA
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![BU of 8tha by Molmil](/molmil-images/mine/8tha) | 1TEL, non-compressed, double-helical crystal form | Descriptor: | Transcription factor ETV6,Activated CDC42 kinase 1 | Authors: | Smith, C.P, Wilson, E.W, Pedroza Romo, M.J, Averett, J.C, Moody, J.D. | Deposit date: | 2023-07-14 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | 1TEL, non-compressed, double-helical crystal form To Be Published
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8T2I
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![BU of 8t2i by Molmil](/molmil-images/mine/8t2i) | Negative stain EM assembly of MYC, JAZ, and NINJA complex | Descriptor: | AFP homolog 2, Maltose/maltodextrin-binding periplasmic protein, Protein TIFY 10A, ... | Authors: | Zhou, X.E, Zhang, Y, Zhou, Y, He, Q, Cao, X, Kariapper, L, Suino-Powell, K, Zhu, Y, Zhang, F, Karsten, M. | Deposit date: | 2023-06-06 | Release date: | 2023-06-28 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (10.4 Å) | Cite: | Assembly of JAZ-JAZ and JAZ-NINJA complexes in jasmonate signaling. Plant Commun., 4, 2023
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4WJX
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![BU of 4wjx by Molmil](/molmil-images/mine/4wjx) | Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution | Descriptor: | Chitotriosidase-1, L(+)-TARTARIC ACID | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | Deposit date: | 2014-10-01 | Release date: | 2015-07-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM Acta Crystallogr.,Sect.D, 71, 2015
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8THV
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![BU of 8thv by Molmil](/molmil-images/mine/8thv) | FARFAR-NMR ensemble of HIV-1 TAR with apical loop capturing ground and excited conformational states | Descriptor: | RNA (29-MER) | Authors: | Roy, R, Geng, A, Shi, H, Merriman, D.K, Dethoff, E.A, Salmon, L, Al-Hashimi, H.M. | Deposit date: | 2023-07-18 | Release date: | 2023-08-02 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Kinetic Resolution of the Atomic 3D Structures Formed by Ground and Excited Conformational States in an RNA Dynamic Ensemble. J.Am.Chem.Soc., 145, 2023
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4USC
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![BU of 4usc by Molmil](/molmil-images/mine/4usc) | Crystal structure of peroxidase from palm tree Chamaerops excelsa | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Bernardes, A, Santos, J.C, Textor, L.C, Cuadrado, N.H, Kostetsky, E.Y, Roig, M.G, Muniz, J.R.C, Shnyrov, V.L, Polikarpov, I. | Deposit date: | 2014-07-07 | Release date: | 2015-05-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure Analysis of Peroxidase from the Palm Tree Chamaerops Excelsa. Biochimie, 111, 2015
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4UZA
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![BU of 4uza by Molmil](/molmil-images/mine/4uza) | |
7CHM
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![BU of 7chm by Molmil](/molmil-images/mine/7chm) | Crystal structure of TTK kinase domain in complex with compound 8 | Descriptor: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | Deposit date: | 2020-07-06 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor. J.Med.Chem., 64, 2021
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