1AID
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![BU of 1aid by Molmil](/molmil-images/mine/1aid) | STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN | Descriptor: | 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL, CHLORIDE ION, HUMAN IMMUNODEFICIENCY VIRUS PROTEASE | Authors: | Rutenber, E.E, Fauman, E.B, Keenan, R.J, Stroud, R.M. | Deposit date: | 1997-04-16 | Release date: | 1997-10-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design. J.Biol.Chem., 268, 1993
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6W0V
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![BU of 6w0v by Molmil](/molmil-images/mine/6w0v) | The Crystal Structure of the Mutant Nuclease Domain of Pyocin S8 with its Cognate Immunity Protein | Descriptor: | Bacteriocin immunity protein, Pyocin S8 | Authors: | Turano, H, Gomes, F, Domingos, R.M, Netto, L.E.S. | Deposit date: | 2020-03-03 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Molecular Structure and Functional Analysis of Pyocin S8 from Pseudomonas aeruginosa Reveals the Essential Requirement of a Glutamate Residue in the H-N-H Motif for DNase Activity. J.Bacteriol., 202, 2020
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6UK1
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![BU of 6uk1 by Molmil](/molmil-images/mine/6uk1) | Crystal structure of nucleotide-binding domain 2 (NBD2) of the human Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | Authors: | Wang, C, Vorobiev, S.M, Vernon, R.M, Khazanov, N, Senderowitz, H, Forman-Kay, J.D, Hunt, J.F. | Deposit date: | 2019-10-03 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | A thermodynamically stabilized form of the second nucleotide binding domain from human CFTR shows a catalytically inactive conformation To Be Published
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1GOD
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![BU of 1god by Molmil](/molmil-images/mine/1god) | MONOMERIC LYS-49 PHOSPHOLIPASE A2 HOMOLOGUE ISOLATED FROM THE VENOM OF CERROPHIDION (BOTHROPS) GODMANI | Descriptor: | PROTEIN (PHOSPHOLIPASE A2) | Authors: | Arni, R.K, Fontes, M.R.M, Barberato, C, Gutierrez, J.M, Diaz-Oreiro, C, Ward, R.J. | Deposit date: | 1999-04-16 | Release date: | 1999-04-23 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of myotoxin II, a monomeric Lys49-phospholipase A2 homologue isolated from the venom of Cerrophidion (Bothrops) godmani. Arch.Biochem.Biophys., 366, 1999
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1BFR
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![BU of 1bfr by Molmil](/molmil-images/mine/1bfr) | IRON STORAGE AND ELECTRON TRANSPORT | Descriptor: | BACTERIOFERRITIN, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Dautant, A, Yariv, J, Meyer, J.B, Precigoux, G, Sweet, R.M, Frolow, F, Kalb(Gilboa), A.J. | Deposit date: | 1994-12-16 | Release date: | 1996-06-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Structure of a monoclinic crystal from of cyctochrome b1 (Bacterioferritin) from E. coli. Acta Crystallogr.,Sect.D, 54, 1998
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3C02
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![BU of 3c02 by Molmil](/molmil-images/mine/3c02) | |
6HL8
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![BU of 6hl8 by Molmil](/molmil-images/mine/6hl8) | |
6HAL
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![BU of 6hal by Molmil](/molmil-images/mine/6hal) | Human carbonmonoxy hemoglobin SFX dataset | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Doak, B, Gorel, A, Foucar, L, Barends, T.R.M, Gruenbein, M.L, Hilpert, M, Kloos, M, Nass Kovacs, G, Roome, C.M, Shoeman, R.L, Stricker, M, Tono, K, You, D, Ueda, K, Sherrell, D.A, Owen, R.L, Schlichting, I. | Deposit date: | 2018-08-07 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallography on a chip - without the chip: sheet-on-sheet sandwich. Acta Crystallogr D Struct Biol, 74, 2018
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6JN2
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![BU of 6jn2 by Molmil](/molmil-images/mine/6jn2) | Crystal structure of the coiled-coil domains of human DOT1L in complex with AF10 | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein AF-10 | Authors: | Song, X, Wang, M, Yang, N, Xu, R.M. | Deposit date: | 2019-03-13 | Release date: | 2019-09-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | A higher-order configuration of the heterodimeric DOT1L-AF10 coiled-coil domains potentiates their leukemogenenic activity. Proc.Natl.Acad.Sci.USA, 116, 2019
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6VXU
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![BU of 6vxu by Molmil](/molmil-images/mine/6vxu) | Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471 | Descriptor: | (7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, (7S)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, ... | Authors: | dos Reis, C.V, Dutra, L.A, Gama, F.H, Mascarello, A, Azevedo, H, Guimaraes, C.R, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-24 | Release date: | 2021-03-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471 To Be Published
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6H0K
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![BU of 6h0k by Molmil](/molmil-images/mine/6h0k) | Hen egg-white lysozyme structure determined with data from the EuXFEL, the first MHz free electron laser, 7.47 keV photon energy | Descriptor: | Lysozyme C | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-07-10 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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6H0L
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![BU of 6h0l by Molmil](/molmil-images/mine/6h0l) | Hen egg-white lysozyme structure determined with data from the EuXFEL, 9.22 keV photon energy | Descriptor: | Lysozyme C | Authors: | Gruenbein, M.L, Gorel, A, Stricker, M, Bean, R, Bielecki, J, Doerner, K, Hartmann, E, Hilpert, M, Kloos, M, Letrun, R, Sztuk-Dambietz, J, Mancuso, A, Meserschmidt, M, Nass-Kovacs, G, Ramilli, M, Roome, C.M, Sato, T, Doak, R.B, Shoeman, R.L, Foucar, L, Colletier, J.P, Barends, T.R.M, Stan, C, Schlichting, I. | Deposit date: | 2018-07-10 | Release date: | 2018-09-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Megahertz data collection from protein microcrystals at an X-ray free-electron laser. Nat Commun, 9, 2018
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3B23
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![BU of 3b23 by Molmil](/molmil-images/mine/3b23) | Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors | Descriptor: | Thrombin heavy chain, Thrombin light chain, Variegin | Authors: | Koh, C.Y, Kumar, S, Swaminathan, K, Kini, R.M. | Deposit date: | 2011-07-20 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of thrombin in complex with s-variegin: insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors Plos One, 6, 2011
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6W3Z
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![BU of 6w3z by Molmil](/molmil-images/mine/6w3z) | Crystal Structure of Brugia malayi Deoxyhypusine synthase (DHPS) | Descriptor: | BMA-DHPS-1, isoform a, CHLORIDE ION, ... | Authors: | Santiago, A.S, dos Reis, C.V, Ramos, P.Z, Klippel, H.A, Silva, S.F, Zanelli, C.F, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-09 | Release date: | 2020-11-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural features and development of an assay platform of the parasite target deoxyhypusine synthase of Brugia malayi and Leishmania major. Plos Negl Trop Dis, 14, 2020
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6WAB
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![BU of 6wab by Molmil](/molmil-images/mine/6wab) | Crystal structure of human galectin-4 C-terminal carbohydrate recognition domain in complex with galactose derivative | Descriptor: | 2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol, GLYCEROL, Galectin-4 | Authors: | Go, R.M, Kishor, C, Blanchard, H. | Deposit date: | 2020-03-25 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal structure of human galectin-4 C-terminal carbohydrate recognition domain in complex with galactose derivative To Be Published
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1A6G
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![BU of 1a6g by Molmil](/molmil-images/mine/1a6g) | CARBONMONOXY-MYOGLOBIN, ATOMIC RESOLUTION | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | Deposit date: | 1998-02-25 | Release date: | 1998-10-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Crystal structures of myoglobin-ligand complexes at near-atomic resolution. Biophys.J., 77, 1999
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6WBB
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![BU of 6wbb by Molmil](/molmil-images/mine/6wbb) | Structure of Mouse Importin alpha - MLH1-E475A NLS peptide complex | Descriptor: | DNA mismatch repair protein Mlh1, Importin subunit alpha-1 | Authors: | De Barros, A.C, Da Silva, T.D, Oliveira, H.C, Fukuda, C.A, Fontes, M.R.M. | Deposit date: | 2020-03-26 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.663 Å) | Cite: | Structural and calorimetric studies reveal specific determinants for the binding of a high-affinity NLS to mammalian importin-alpha. Biochem.J., 478, 2021
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6WBA
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![BU of 6wba by Molmil](/molmil-images/mine/6wba) | Structure of Mouse Importin alpha MLH1- R470A NLS Peptide Complex | Descriptor: | DNA mismatch repair protein Mlh1, Importin subunit alpha-1 | Authors: | de Barros, A.C, da Silva, T.D, Oliveira, H.C, Fukuda, C.A, Fontes, M.R.M. | Deposit date: | 2020-03-26 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Structural and calorimetric studies reveal specific determinants for the binding of a high-affinity NLS to mammalian importin-alpha. Biochem.J., 478, 2021
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6WBC
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![BU of 6wbc by Molmil](/molmil-images/mine/6wbc) | Structure of Mouse Importin alpha- MLH1-R472K NLS Peptide Complex | Descriptor: | DNA mismatch repair protein Mlh1, Importin subunit alpha-1 | Authors: | de Barros, A.C, da Silva, T.D, Oliveira, H.C, Fukuda, C.A, Fontes, M.R.M. | Deposit date: | 2020-03-26 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and calorimetric studies reveal specific determinants for the binding of a high-affinity NLS to mammalian importin-alpha. Biochem.J., 478, 2021
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6HIF
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![BU of 6hif by Molmil](/molmil-images/mine/6hif) | Kuenenia stuttgartiensis hydrazine dehydrogenase complex | Descriptor: | GLYCEROL, HEME C, Hydrazine dehydrogenase, ... | Authors: | Akram, M, Dietl, A, Mersdorf, U, Prinz, S, Maalcke, W, Keltjens, J, Ferousi, C, de Almeida, N.M, Reimann, J, Kartal, B, Jetten, M.S.M, Parey, K, Barends, T.R.M. | Deposit date: | 2018-08-29 | Release date: | 2019-04-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A 192-heme electron transfer network in the hydrazine dehydrogenase complex. Sci Adv, 5, 2019
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3C4B
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![BU of 3c4b by Molmil](/molmil-images/mine/3c4b) | Structure of RNaseIIIb and dsRNA binding domains of mouse Dicer | Descriptor: | Endoribonuclease Dicer | Authors: | Lee, J.K, Du, Z, Tjhen, R.J, Stroud, R.M, James, T.L. | Deposit date: | 2008-01-29 | Release date: | 2008-02-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural and biochemical insights into the dicing mechanism of mouse Dicer: A conserved lysine is critical for dsRNA cleavage. Proc.Natl.Acad.Sci.Usa, 105, 2008
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6X3Z
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![BU of 6x3z by Molmil](/molmil-images/mine/6x3z) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Kim, J.J, Gharpure, A, Teng, J, Zhuang, Y, Howard, R.J, Zhu, S, Noviello, C.M, Walsh, R.M, Lindahl, E, Hibbs, R.E. | Deposit date: | 2020-05-21 | Release date: | 2020-09-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Shared structural mechanisms of general anaesthetics and benzodiazepines. Nature, 585, 2020
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3C0E
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1A6M
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![BU of 1a6m by Molmil](/molmil-images/mine/1a6m) | OXY-MYOGLOBIN, ATOMIC RESOLUTION | Descriptor: | MYOGLOBIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Vojtechovsky, J, Chu, K, Berendzen, J, Sweet, R.M, Schlichting, I. | Deposit date: | 1998-02-26 | Release date: | 1999-04-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal structures of myoglobin-ligand complexes at near-atomic resolution. Biophys.J., 77, 1999
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3C11
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![BU of 3c11 by Molmil](/molmil-images/mine/3c11) | |