3ZG1
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![BU of 3zg1 by Molmil](/molmil-images/mine/3zg1) | NI-BOUND FORM OF M123A MUTANT OF CUPRIAVIDUS METALLIDURANS CH34 CNRXS | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Girard, E, Coves, J. | Deposit date: | 2012-12-13 | Release date: | 2013-10-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Metal Sensing and Signal Transduction by Cnrx from Cupriavidus Metallidurans Ch34: Role of the Only Methionine Assessed by a Functional, Spectroscopic, and Theoretical Study Metallomics, 6, 2014
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8PLP
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![BU of 8plp by Molmil](/molmil-images/mine/8plp) | Thioredoxin glutathione reductase of Schistosoma mansoni fragment screen hit 26. | Descriptor: | (3R)-1-methylpiperidin-3-yl furan-2-carboxylate, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ribeiro, L, Montoya, B.O, Moreira-Filho, J.T, Bowyer, S, Verma, A, Neves, B.J, Owens, R.J, Andrade, C.H, Silva-Jr, F.P, Furnham, N. | Deposit date: | 2023-06-27 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni. Sci Rep, 14, 2024
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5V5V
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![BU of 5v5v by Molmil](/molmil-images/mine/5v5v) | Complex of NLGN2 with MDGA1 Ig1-Ig2 | Descriptor: | MAM domain-containing glycosylphosphatidylinositol anchor protein 1, Neuroligin-2 | Authors: | Gangwar, S.P, Machius, M, Rudenko, G. | Deposit date: | 2017-03-15 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.11 Å) | Cite: | Molecular Mechanism of MDGA1: Regulation of Neuroligin 2:Neurexin Trans-synaptic Bridges. Neuron, 94, 2017
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8PHI
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![BU of 8phi by Molmil](/molmil-images/mine/8phi) | Crystal structure of prefusion-stabilized RSV F Variant DS-Cav1 in complex with Lonafarnib | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, CALCIUM ION, ... | Authors: | Rajak, M, Krey, T. | Deposit date: | 2023-06-19 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.289 Å) | Cite: | Drug repurposing screen identifies lonafarnib as respiratory syncytial virus fusion protein inhibitor. Nat Commun, 15, 2024
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8BTL
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![BU of 8btl by Molmil](/molmil-images/mine/8btl) | Crystal structure of a complex between the E2 conjugating enzyme UBE2A and the E3 ligase module from UBR4 | Descriptor: | Ubiquitin conjugating enzyme E2 A, ZINC ION, cDNA FLJ12511 fis, ... | Authors: | Virdee, S, Mabbitt, P.D, Barnsby-Greer, L. | Deposit date: | 2022-11-29 | Release date: | 2023-12-13 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | UBE2A and UBE2B are recruited by an atypical E3 ligase module in UBR4. Nat.Struct.Mol.Biol., 31, 2024
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5LP1
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![BU of 5lp1 by Molmil](/molmil-images/mine/5lp1) | |
4JHO
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![BU of 4jho by Molmil](/molmil-images/mine/4jho) | Structural analysis and insights into glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, GLYCEROL | Authors: | Tankrathok, A, Luang, S, Robinson, R.C, Kimura, A, Hrmova, M, Ketudat Cairns, J.R. | Deposit date: | 2013-03-05 | Release date: | 2013-10-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural analysis and insights into the glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase Acta Crystallogr.,Sect.D, 69, 2013
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5UBK
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![BU of 5ubk by Molmil](/molmil-images/mine/5ubk) | Inactive S1A/N269D-cpPvdQ mutant in complex with the pyoverdine precursor PVDIq reveals a specific binding pocket for the D-Tyr of this substrate | Descriptor: | Acyl-homoserine lactone acylase PvdQ, N-[(1R)-1-{(6S)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-N~2~-tetradecanoyl-L-glutamine | Authors: | Mascarenhas, R, Catlin, D, Wu, R, Clevenger, K, Fast, W, Liu, D. | Deposit date: | 2016-12-20 | Release date: | 2017-03-01 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Circular Permutation Reveals a Chromophore Precursor Binding Pocket of the Siderophore Tailoring Enzyme PvdQ To Be Published
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6D6H
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![BU of 6d6h by Molmil](/molmil-images/mine/6d6h) | Triclinic lysozyme cryocooled to 100 K with 47% MPD as cryoprotectant | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Lysozyme C, NITRATE ION | Authors: | Juers, D.H. | Deposit date: | 2018-04-20 | Release date: | 2018-09-19 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.000064 Å) | Cite: | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
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8F2G
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![BU of 8f2g by Molmil](/molmil-images/mine/8f2g) | Crystal structure of Hen Egg White Lysozyme at 0.44 GPa | Descriptor: | Lysozyme C | Authors: | Marshall, A.C, Boer, S.A, Turner, G, Moggach, S.A, Bond, C.S, Vrielink, A. | Deposit date: | 2022-11-08 | Release date: | 2022-12-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | High-pressure single-crystal diffraction at the Australian Synchrotron. J.Synchrotron Radiat., 30, 2023
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5UCW
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![BU of 5ucw by Molmil](/molmil-images/mine/5ucw) | |
4S1V
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6D9M
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![BU of 6d9m by Molmil](/molmil-images/mine/6d9m) | T4-Lysozyme fusion to Geobacter GGDEF | Descriptor: | ACETATE ION, Fusion protein of Endolysin,Response receiver sensor diguanylate cyclase, GAF domain-containing, ... | Authors: | Hallberg, Z, Doxzen, K, Kranzusch, P.J, Hammond, M. | Deposit date: | 2018-04-30 | Release date: | 2019-04-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure and mechanism of a Hypr GGDEF enzyme that activates cGAMP signaling to control extracellular metal respiration. Elife, 8, 2019
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5LQQ
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![BU of 5lqq by Molmil](/molmil-images/mine/5lqq) | Structure of Autotaxin (ENPP2) with LM350 | Descriptor: | 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A. | Deposit date: | 2016-08-17 | Release date: | 2016-12-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode. J. Med. Chem., 60, 2017
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4S2Y
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![BU of 4s2y by Molmil](/molmil-images/mine/4s2y) | Structure of E. coli RppH bound to RNA and three magnesium ions | Descriptor: | CHLORIDE ION, MAGNESIUM ION, RNA (5'-R(*(APC)*GP*U)-3'), ... | Authors: | Vasilyev, N, Serganov, A. | Deposit date: | 2015-01-23 | Release date: | 2015-02-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay. J.Biol.Chem., 290, 2015
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5LSV
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![BU of 5lsv by Molmil](/molmil-images/mine/5lsv) | X-ray crystal structure of AA13 LPMO | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION, ... | Authors: | Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2016-09-05 | Release date: | 2017-01-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder. Acta Crystallogr D Struct Biol, 73, 2017
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8P0L
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![BU of 8p0l by Molmil](/molmil-images/mine/8p0l) | Crystal structure of human O-GlcNAcase in complex with an S-linked CKII peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Protein O-GlcNAcase, ... | Authors: | Males, A, Davies, G.J, Calvelo, M, Alteen, M.G, Vocadlo, D.J, Rovira, C. | Deposit date: | 2023-05-10 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human O -GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics. Acs Catalysis, 13, 2023
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5TZO
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![BU of 5tzo by Molmil](/molmil-images/mine/5tzo) | Computationally Designed Fentanyl Binder - Fen49*-Complex | Descriptor: | CHLORIDE ION, Endo-1,4-beta-xylanase A, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide, ... | Authors: | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | Deposit date: | 2016-11-22 | Release date: | 2017-10-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Computational design of environmental sensors for the potent opioid fentanyl. Elife, 6, 2017
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8BXG
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![BU of 8bxg by Molmil](/molmil-images/mine/8bxg) | Structure of the K/H exchanger KefC. | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, Glutathione-regulated potassium-efflux system protein KefC, ... | Authors: | Gulati, A, Drew, D. | Deposit date: | 2022-12-08 | Release date: | 2023-12-20 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Structure and mechanism of the K + /H + exchanger KefC. Nat Commun, 15, 2024
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1RQA
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![BU of 1rqa by Molmil](/molmil-images/mine/1rqa) | Crystallographic Analysis of the Interaction of Nitric Oxide with Quaternary-T Human Hemoglobin. Beta W73E hemoglobin exposed to NO under anaerobic conditions | Descriptor: | Hemoglobin alpha chain, Hemoglobin beta chain, NITRIC OXIDE, ... | Authors: | Chan, N.-L, Kavanaugh, J.S, Rogers, P.H, Arnone, A. | Deposit date: | 2003-12-04 | Release date: | 2005-01-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystallographic analysis of the interaction of nitric oxide with quaternary-T human hemoglobin. Biochemistry, 43, 2004
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4K2C
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![BU of 4k2c by Molmil](/molmil-images/mine/4k2c) | HSA Ligand Free | Descriptor: | Serum albumin | Authors: | Wang, Y, Luo, Z, Shi, X, Huang, M. | Deposit date: | 2013-04-08 | Release date: | 2013-05-01 | Last modified: | 2018-02-21 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Structural mechanism of ring-opening reaction of glucose by human serum albumin. J. Biol. Chem., 288, 2013
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5DH4
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![BU of 5dh4 by Molmil](/molmil-images/mine/5dh4) | PDE10 complexed with 5-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine | Descriptor: | 3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione, 5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine, MAGNESIUM ION, ... | Authors: | Yan, Y. | Deposit date: | 2015-08-29 | Release date: | 2016-01-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia. Bioorg.Med.Chem.Lett., 26, 2016
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6BOR
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![BU of 6bor by Molmil](/molmil-images/mine/6bor) | Human APE1 substrate complex with an G/G mismatch adjacent the THF | Descriptor: | 1,2-ETHANEDIOL, 21-mer DNA, CHLORIDE ION, ... | Authors: | Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S. | Deposit date: | 2017-11-20 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches. Acta Crystallogr D Struct Biol, 74, 2018
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1AZM
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![BU of 1azm by Molmil](/molmil-images/mine/1azm) | |
8BY2
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![BU of 8by2 by Molmil](/molmil-images/mine/8by2) | Structure of the K+/H+ exchanger KefC with GSH. | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, GLUTATHIONE, ... | Authors: | Gulati, A, Drew, D. | Deposit date: | 2022-12-11 | Release date: | 2023-12-27 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structure and mechanism of the K + /H + exchanger KefC. Nat Commun, 15, 2024
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