7AIL
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4Q6R
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2MJQ
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4QBO
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![BU of 4qbo by Molmil](/molmil-images/mine/4qbo) | VRR_NUC domain | Descriptor: | MAGNESIUM ION, Nuclease | Authors: | Smerdon, S.J, Pennell, S, Li, J. | Deposit date: | 2014-05-08 | Release date: | 2014-09-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | FAN1 activity on asymmetric repair intermediates is mediated by an atypical monomeric virus-type replication-repair nuclease domain. Cell Rep, 8, 2014
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7AGJ
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![BU of 7agj by Molmil](/molmil-images/mine/7agj) | Ribonucleotide Reductase R1 protein from Aquifex aeolicus | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Rehling, D, Scaletti, E.R, Stenmark, P. | Deposit date: | 2020-09-22 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus. Biochemistry, 61, 2022
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7AIK
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![BU of 7aik by Molmil](/molmil-images/mine/7aik) | Ribonucleotide Reductase R2 protein from Aquifex aeolicus | Descriptor: | FE (II) ION, Ribonucleoside-diphosphate reductase subunit beta,Ribonucleoside-diphosphate reductase subunit beta | Authors: | Rehling, D, Scaletti, E.R, Stenmark, P. | Deposit date: | 2020-09-27 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus. Biochemistry, 61, 2022
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4QCI
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![BU of 4qci by Molmil](/molmil-images/mine/4qci) | PDGF-B blocking antibody bound to PDGF-BB | Descriptor: | Platelet-derived growth factor subunit B, anti-PDGF-BB antibody - Light Chain, anti-PDGF-BB antibody - Heavy chain | Authors: | Kuai, J, Mosyak, L, Tam, M, LaVallie, E, Pullen, N, Carven, G. | Deposit date: | 2014-05-12 | Release date: | 2015-03-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of Binding Mode of Action of a Blocking Anti-Platelet-Derived Growth Factor (PDGF)-B Monoclonal Antibody, MOR8457, Reveals Conformational Flexibility and Avidity Needed for PDGF-BB To Bind PDGF Receptor-beta. Biochemistry, 54, 2015
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4BQH
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![BU of 4bqh by Molmil](/molmil-images/mine/4bqh) | Crystal structure of the uridine diphosphate N-acetylglucosamine pyrophosphorylase from Trypanosoma brucei in complex with inhibitor | Descriptor: | (3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1H-indol-2-one, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE | Authors: | Fang, W, Raimi, O.G, vanAalten, D.M.F. | Deposit date: | 2013-05-30 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Novel Allosteric Inhibitor of the Uridine Diphosphate N-Acetylglucosamine Pyrophosphorylase from Trypanosoma Brucei. Acs Chem.Biol., 8, 2013
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2MPA
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![BU of 2mpa by Molmil](/molmil-images/mine/2mpa) | BACTERICIDAL ANTIBODY AGAINST NEISSERIA MENINGITIDIS | Descriptor: | CADMIUM ION, CONJUGATE OF PORA P1.16 PEPTIDE WITH FLUORESCEIN, MN12H2 IGG2A-KAPPA, ... | Authors: | Van Den Elsen, J.M.H, Herron, J.N, Kroon, J, Gros, P. | Deposit date: | 1999-06-09 | Release date: | 1999-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Bactericidal antibody recognition of a PorA epitope of Neisseria meningitidis: crystal structure of a Fab fragment in complex with a fluorescein-conjugated peptide. Proteins, 29, 1997
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4E53
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![BU of 4e53 by Molmil](/molmil-images/mine/4e53) | Calmodulin and Nm peptide complex | Descriptor: | Calmodulin, Linker, IQ motif of Neuromodulin | Authors: | Kumar, V, Sivaraman, J. | Deposit date: | 2012-03-13 | Release date: | 2013-03-20 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural basis for the interaction of unstructured neuron specific substrates neuromodulin and neurogranin with calmodulin Sci Rep, 3, 2013
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4P2A
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![BU of 4p2a by Molmil](/molmil-images/mine/4p2a) | Structure of mouse VPS26A bound to rat SNX27 PDZ domain | Descriptor: | MERCURY (II) ION, Sorting nexin-27, Vacuolar protein sorting-associated protein 26A | Authors: | Clairfeuille, T, Gallon, M, Mas, C, Ghai, R, Teasdale, R, Cullen, P, Collins, B. | Deposit date: | 2014-03-03 | Release date: | 2014-09-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A unique PDZ domain and arrestin-like fold interaction reveals mechanistic details of endocytic recycling by SNX27-retromer. Proc.Natl.Acad.Sci.USA, 111, 2014
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4EMA
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![BU of 4ema by Molmil](/molmil-images/mine/4ema) | Human peroxisome proliferator-activated receptor gamma in complex with rosiglitazone | Descriptor: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Peroxisome proliferator-activated receptor gamma | Authors: | Liberato, M.V, Nascimento, A.S, Polikarpov, I. | Deposit date: | 2012-04-11 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists Plos One, 7, 2012
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4E96
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![BU of 4e96 by Molmil](/molmil-images/mine/4e96) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1 | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Fish, P, Bunnage, M, Owen, D, Knapp, S, Cook, A, Structural Genomics Consortium (SGC) | Deposit date: | 2012-03-20 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit. J.Med.Chem., 55, 2012
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4RHF
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![BU of 4rhf by Molmil](/molmil-images/mine/4rhf) | Crystal structure of UbiX mutant V47S from Colwellia psychrerythraea 34H | Descriptor: | 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, SULFATE ION | Authors: | Do, H, Kim, S.J, Lee, C.W, Kim, H.-W, Park, H.H, Kim, H.M, Park, H, Park, H.J, Lee, J.H. | Deposit date: | 2014-10-02 | Release date: | 2015-02-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.764 Å) | Cite: | Crystal structure of UbiX, an aromatic acid decarboxylase from the psychrophilic bacterium Colwellia psychrerythraea that undergoes FMN-induced conformational changes. Sci Rep, 5, 2015
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4RHE
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![BU of 4rhe by Molmil](/molmil-images/mine/4rhe) | Crystal structure of UbiX, an aromatic acid decarboxylase from the Colwellia psychrerythraea 34H | Descriptor: | 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, FLAVIN MONONUCLEOTIDE, SULFATE ION | Authors: | Do, H, Kim, S.J, Lee, C.W, Kim, H.-W, Park, H.H, Kim, H.M, Park, H, Park, H.J, Lee, J.H. | Deposit date: | 2014-10-02 | Release date: | 2015-02-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Crystal structure of UbiX, an aromatic acid decarboxylase from the psychrophilic bacterium Colwellia psychrerythraea that undergoes FMN-induced conformational changes. Sci Rep, 5, 2015
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4CIK
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![BU of 4cik by Molmil](/molmil-images/mine/4cik) | plasminogen kringle 1 in complex with inhibitor | Descriptor: | 5-[(2R,4S)-2-(phenylmethyl)piperidin-4-yl]-1,2-oxazol-3-one, PLASMINOGEN | Authors: | Xue, Y, Johansson, C, Cheng, L, Pettersen, D, Gustafsson, D. | Deposit date: | 2013-12-10 | Release date: | 2014-06-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of the Fibrinolysis Inhibitor Azd6564, Acting Via Interference of a Protein-Protein Interaction. Acs Med.Chem.Lett., 5, 2014
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4CL6
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![BU of 4cl6 by Molmil](/molmil-images/mine/4cl6) | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N-(4- Chlorobenzyl)-3-(2-furyl)-1H-1,2,4-triazol-5-amine | Descriptor: | 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-(4-chlorobenzyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine | Authors: | Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H. | Deposit date: | 2014-01-13 | Release date: | 2015-01-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A Substrate Mimic Allows High Throughput Assay of the Faba Protein and Consequently the Identification of a Novel Inhibitor of Pseudomonas Aeruginosa Faba. J.Mol.Biol., 428, 2016
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4R7H
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![BU of 4r7h by Molmil](/molmil-images/mine/4r7h) | Crystal structure of FMS KINASE domain with a small molecular inhibitor, PLX3397 | Descriptor: | 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor | Authors: | Zhang, Y, Zhang, K, Zhang, C. | Deposit date: | 2014-08-27 | Release date: | 2015-08-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8001 Å) | Cite: | Structure-Guided Blockade of CSF1R Kinase in Tenosynovial Giant-Cell Tumor. N Engl J Med, 373, 2015
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4CQH
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![BU of 4cqh by Molmil](/molmil-images/mine/4cqh) | Structure of Infrared Fluorescent Protein IFP2.0 | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, BACTERIOPHYTOCHROME, SODIUM ION | Authors: | Lafaye, C, Yu, D, Noirclerc-Savoye, M, Shu, X, Royant, A. | Deposit date: | 2014-02-17 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | An Improved Monomeric Infrared Fluorescent Protein for Neuronal and Tumour Brain Imaging. Nat.Commun., 5, 2014
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6FGQ
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![BU of 6fgq by Molmil](/molmil-images/mine/6fgq) | Ligand complex of RORg LBD | Descriptor: | Nuclear receptor ROR-gamma, methyl 4-[[3-[5-[2-(4-ethylsulfonylphenyl)ethanoylamino]thiophen-3-yl]pyridin-2-yl]oxymethyl]benzoate | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2018-01-11 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
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4R6A
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![BU of 4r6a by Molmil](/molmil-images/mine/4r6a) | Crystal structure of human TLR8 in complex with Hybrid-2 | Descriptor: | 1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 8, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2014-08-22 | Release date: | 2015-08-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Hybrid-2: AnImidazoquinoline Dual Toll-like receptor 7/8 Agonist that Potently Activates Cytokine Production by Human Newborn and Adult Leukocytes To be Published
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6Y4X
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![BU of 6y4x by Molmil](/molmil-images/mine/6y4x) | Crystal structure of p38 in complex with SR72 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-23 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
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2OK8
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![BU of 2ok8 by Molmil](/molmil-images/mine/2ok8) | Ferredoxin-NADP+ reductase from Plasmodium falciparum | Descriptor: | CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Putative ferredoxin--NADP reductase | Authors: | Milani, M, Mastrangelo, E, Bolognesi, M. | Deposit date: | 2007-01-16 | Release date: | 2007-02-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ferredoxin-NADP(+) Reductase from Plasmodium falciparum Undergoes NADP(+)-dependent Dimerization and Inactivation: Functional and Crystallographic Analysis. J.Mol.Biol., 367, 2007
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7BL1
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![BU of 7bl1 by Molmil](/molmil-images/mine/7bl1) | human complex II-BATS bound to membrane-attached Rab5a-GTP | Descriptor: | Beclin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tremel, S, Morado, D.R, Kovtun, O, Williams, R.L, Briggs, J.A.G, Munro, S, Ohashi, Y, Bertram, J, Perisic, O. | Deposit date: | 2021-01-17 | Release date: | 2021-03-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (9.8 Å) | Cite: | Structural basis for VPS34 kinase activation by Rab1 and Rab5 on membranes. Nat Commun, 12, 2021
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4DTG
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![BU of 4dtg by Molmil](/molmil-images/mine/4dtg) | Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Humanized recombinant FAB fragment, ... | Authors: | Svensson, L.A, Breinholt, J, Krogh, B.O, Hilden, I. | Deposit date: | 2012-02-21 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hemostatic effect of a monoclonal antibody mAb 2021 blocking the interaction between FXa and TFPI in a rabbit hemophilia model. Blood, 119, 2012
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