4QWS
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![BU of 4qws by Molmil](/molmil-images/mine/4qws) | yCP beta5-C63F mutant in complex with carfilzomib | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-17 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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4QZ6
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![BU of 4qz6 by Molmil](/molmil-images/mine/4qz6) | yCP beta5-A49T-A50V double mutant in complex with the epoxyketone inhibitor ONX 0914 | Descriptor: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Heinemeyer, W, Groll, M. | Deposit date: | 2014-07-27 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914. Structure, 23, 2015
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1MBM
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![BU of 1mbm by Molmil](/molmil-images/mine/1mbm) | NSP4 proteinase from Equine Arteritis Virus | Descriptor: | chymotrypsin-like serine protease | Authors: | Barrette-Ng, I.H, Ng, K.K.-S, Mark, B.L, van Aken, D, Cherney, M.M, Garen, C, Kolodenko, Y, Gorbalenya, A.E, Snijder, E.J, James, M.N.G. | Deposit date: | 2002-08-03 | Release date: | 2002-10-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Arterivirus nsp4: the smallest chymotrypsin-like proteinase with an alpha/beta C-terminal extension and alternate conformations of the oxyanion hole J.Biol.Chem., 277, 2002
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7TJ4
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![BU of 7tj4 by Molmil](/molmil-images/mine/7tj4) | Structure of the S. aureus amidase LytH and activator ActH extracellular domains | Descriptor: | ActH, LytH, ZINC ION | Authors: | Page, J.E, Skiba, M.A, Kruse, A.C, Walker, S. | Deposit date: | 2022-01-14 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Metal cofactor stabilization by a partner protein is a widespread strategy employed for amidase activation. Proc.Natl.Acad.Sci.USA, 119, 2022
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3P0H
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![BU of 3p0h by Molmil](/molmil-images/mine/3p0h) | Leishmania major Tyrosyl-tRNA synthetase in complex with fisetin, cubic crystal form | Descriptor: | 3,7,3',4'-TETRAHYDROXYFLAVONE, Tyrosyl-tRNA synthetase | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2010-09-28 | Release date: | 2011-03-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Double-Length Tyrosyl-tRNA Synthetase from the Eukaryote Leishmania major Forms an Intrinsically Asymmetric Pseudo-Dimer. J.Mol.Biol., 409, 2011
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5CN8
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![BU of 5cn8 by Molmil](/molmil-images/mine/5cn8) | Ultrafast dynamics in myoglobin: 0.3 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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8Q8H
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5CNF
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![BU of 5cnf by Molmil](/molmil-images/mine/5cnf) | Ultrafast dynamics in myoglobin: 50 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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8QQG
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![BU of 8qqg by Molmil](/molmil-images/mine/8qqg) | Structure of BRAF in Complex With Exarafenib (KIN-2787). | Descriptor: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf | Authors: | Schmitt, A, Costanzi, E, Kania, R, Chen, Y.K. | Deposit date: | 2023-10-04 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.979 Å) | Cite: | Structure of BRAF in Complex With Exarafenib (KIN-2787). To Be Published
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6EHS
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![BU of 6ehs by Molmil](/molmil-images/mine/6ehs) | E. coli Hydrogenase-2 chemically reduced structure | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, DITHIONITE, FE3-S4 CLUSTER, ... | Authors: | Carr, S.B, Evans, R.M, Beaton, S.E, Armstrong, F.A. | Deposit date: | 2017-09-15 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The structure of hydrogenase-2 fromEscherichia coli: implications for H2-driven proton pumping. Biochem. J., 475, 2018
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5ZR1
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![BU of 5zr1 by Molmil](/molmil-images/mine/5zr1) | Saccharomyces Cerevisiae Origin Recognition Complex Bound to a 72-bp Origin DNA containing ACS and B1 element | Descriptor: | 72bp-oring DNA, ACS305, A-rich, ... | Authors: | Li, N, Lam, W.H, Zhai, Y, Cheng, J, Cheng, E, Zhao, Y, Gao, N, Tye, B.K. | Deposit date: | 2018-04-21 | Release date: | 2018-07-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structure of the origin recognition complex bound to DNA replication origin. Nature, 559, 2018
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1H3B
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![BU of 1h3b by Molmil](/molmil-images/mine/1h3b) | Squalene-Hopene Cyclase | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, N-{6-[4-(6-BROMO-1,2-BENZISOTHIAZOL-3-YL)PHENOXY]HEXYL}-N-METHYL-2-PROPEN-1-AMINE, SQUALENE--HOPENE CYCLASE | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | Deposit date: | 2002-08-25 | Release date: | 2003-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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1H35
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![BU of 1h35 by Molmil](/molmil-images/mine/1h35) | Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme | Descriptor: | (4'-{[ALLYL(METHYL)AMINO]METHYL}-1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, SQUALENE--HOPENE CYCLASE | Authors: | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | Deposit date: | 2002-08-24 | Release date: | 2003-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase J.Med.Chem., 46, 2003
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2A25
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![BU of 2a25 by Molmil](/molmil-images/mine/2a25) | Crystal structure of Siah1 SBD bound to the peptide EKPAAVVAPITTG from SIP | Descriptor: | Calcyclin-binding protein peptide, Ubiquitin ligase SIAH1, ZINC ION | Authors: | Santelli, E, Leone, M, Li, C, Fukushima, T, Preece, N.E, Olson, A.J, Ely, K.R, Reed, J.C, Pellecchia, M, Liddington, R.C, Matsuzawa, S. | Deposit date: | 2005-06-21 | Release date: | 2005-08-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Analysis of Siah1-Siah-interacting Protein Interactions and Insights into the Assembly of an E3 Ligase Multiprotein Complex J.Biol.Chem., 280, 2005
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4ISP
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3P61
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![BU of 3p61 by Molmil](/molmil-images/mine/3p61) | Crystal structure of the mutant R160A of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-monophosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-10-11 | Release date: | 2011-09-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.396 Å) | Cite: | Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
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1MNO
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![BU of 1mno by Molmil](/molmil-images/mine/1mno) | V68N MYOGLOBIN OXY FORM | Descriptor: | OXYGEN MOLECULE, PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Murshudov, G.N, Krzywda, S, Brzozowski, A.M, Jaskolski, M, Scott, E.E, Klizas, S.A, Gibson, Q.H, Olson, J.S, Wilkinson, A.J. | Deposit date: | 1998-08-13 | Release date: | 1998-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Stabilizing bound O2 in myoglobin by valine68 (E11) to asparagine substitution. Biochemistry, 37, 1998
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2AD5
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![BU of 2ad5 by Molmil](/molmil-images/mine/2ad5) | Mechanisms of feedback regulation and drug resistance of CTP synthetases: structure of the E. coli CTPS/CTP complex at 2.8-Angstrom resolution. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CTP synthase, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Endrizzi, J.A, Kim, H, Anderson, P.M, Baldwin, E.P. | Deposit date: | 2005-07-19 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Mechanisms of Product Feedback Regulation and Drug Resistance in Cytidine Triphosphate Synthetases from the Structure of a CTP-Inhibited Complex(,). Biochemistry, 44, 2005
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4OGE
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![BU of 4oge by Molmil](/molmil-images/mine/4oge) | Crystal structure of the Type II-C Cas9 enzyme from Actinomyces naeslundii | Descriptor: | HNH endonuclease domain protein, MAGNESIUM ION, SPERMIDINE, ... | Authors: | Jiang, F, Ma, E, Lin, S, Doudna, J.A. | Deposit date: | 2014-01-15 | Release date: | 2014-02-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Structures of Cas9 endonucleases reveal RNA-mediated conformational activation. Science, 343, 2014
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2X0L
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![BU of 2x0l by Molmil](/molmil-images/mine/2x0l) | Crystal structure of a neuro-specific splicing variant of human histone lysine demethylase LSD1. | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, HISTONE H3 PEPTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1, ... | Authors: | Zibetti, C, Adamo, A, Binda, C, Forneris, F, Verpelli, C, Ginelli, E, Mattevi, A, Sala, C, Battaglioli, E. | Deposit date: | 2009-12-15 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Alternative Splicing of the Histone Demethylase Lsd1/Kdm1 Contributes to the Modulation of Neurite Morphogenesis in the Mammalian Nervous System. J.Neurosci., 30, 2010
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243L
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![BU of 243l by Molmil](/molmil-images/mine/243l) | THE RESPONSE OF T4 LYSOZYME TO LARGE-TO-SMALL SUBSTITUTIONS WITHIN THE CORE AND ITS RELATION TO THE HYDROPHOBIC EFFECT | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, T4 LYSOZYME | Authors: | Xu, J, Baase, W.A, Baldwin, E, Matthews, B.W. | Deposit date: | 1997-10-22 | Release date: | 1998-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The response of T4 lysozyme to large-to-small substitutions within the core and its relation to the hydrophobic effect. Protein Sci., 7, 1998
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4FAM
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![BU of 4fam by Molmil](/molmil-images/mine/4fam) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17) | Descriptor: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, Aldo-keto reductase family 1 member C3, ... | Authors: | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | Deposit date: | 2012-05-22 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
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4F1E
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![BU of 4f1e by Molmil](/molmil-images/mine/4f1e) | The Crystal Structure of a Human MitoNEET mutant with Asp 67 replaced by a Gly | Descriptor: | CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | Authors: | Baxter, E.I, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | Deposit date: | 2012-05-06 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allosteric control in a metalloprotein dramatically alters function. Proc.Natl.Acad.Sci.USA, 110, 2013
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7TFK
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![BU of 7tfk by Molmil](/molmil-images/mine/7tfk) | Atomic model of S. cerevisiae clamp loader RFC bound to two DNA molecules, one at the 5'-recessed end and the other at the 3'-recessed end | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H. | Deposit date: | 2022-01-06 | Release date: | 2022-11-16 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Cryo-EM structures reveal that RFC recognizes both the 3'- and 5'-DNA ends to load PCNA onto gaps for DNA repair. Elife, 11, 2022
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1W21
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![BU of 1w21 by Molmil](/molmil-images/mine/1w21) | Structure of Neuraminidase from English duck subtype N6 complexed with 30 mM sialic acid (NANA, Neu5Ac), crystal soaked for 43 hours at 291 K. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | Deposit date: | 2004-06-25 | Release date: | 2006-01-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites To be Published
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