2G5C
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![BU of 2g5c by Molmil](/molmil-images/mine/2g5c) | Crystal Structure of Prephenate Dehydrogenase from Aquifex aeolicus | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, prephenate dehydrogenase | Authors: | Sun, W, Singh, S, Zhang, R, Turnbull, J.L, Christendat, D. | Deposit date: | 2006-02-22 | Release date: | 2006-03-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Prephenate Dehydrogenase from Aquifex aeolicus: Insights into the Catalytic Mechanism J.Biol.Chem., 281, 2006
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6XNP
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![BU of 6xnp by Molmil](/molmil-images/mine/6xnp) | Crystal Structure of Human STING CTD complex with SR-717 | Descriptor: | 1,2-ETHANEDIOL, 4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid, GLYCEROL, ... | Authors: | Chin, E.N, Yu, C, Wolan, D.W, Petrassi, H.M, Lairson, L.L. | Deposit date: | 2020-07-03 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Antitumor activity of a systemic STING-activating non-nucleotide cGAMP mimetic. Science, 369, 2020
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4OAG
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![BU of 4oag by Molmil](/molmil-images/mine/4oag) | |
7NE5
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![BU of 7ne5 by Molmil](/molmil-images/mine/7ne5) | catalytically non active S532A mutant of oligopeptidase B from S. proteomaculans with modified hinge region | Descriptor: | Oligopeptidase B, SPERMINE | Authors: | Petrenko, D.E, Nikolaeva, A.Y, Lazarenko, V.A, Dorovatovskiy, P.V, Vlaskina, A.V, Mikhailova, A.G, Rakitina, T.V, Timofeev, V.I. | Deposit date: | 2021-02-03 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | First Crystal Structure of Bacterial Oligopeptidase B in an Intermediate State: The Roles of the Hinge Region Modification and Spermine. Biology (Basel), 10, 2021
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5W3R
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![BU of 5w3r by Molmil](/molmil-images/mine/5w3r) | SH2B1 SH2 Domain | Descriptor: | PHENOL, PHOSPHATE ION, SH2B adapter protein 1 | Authors: | McKercher, M.A, Wuttke, D.S. | Deposit date: | 2017-06-08 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.386 Å) | Cite: | Diversity in peptide recognition by the SH2 domain of SH2B1. Proteins, 86, 2018
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6XVC
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![BU of 6xvc by Molmil](/molmil-images/mine/6xvc) | CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 1 | Descriptor: | (4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | Deposit date: | 2020-01-21 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.098 Å) | Cite: | PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy. Angew.Chem.Int.Ed.Engl., 59, 2020
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2GC3
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6DXZ
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![BU of 6dxz by Molmil](/molmil-images/mine/6dxz) | Rabbit N-acylethanolamine-hydrolyzing acid amidase (NAAA) in complex with non-covalent benzothiazole-piperazine inhibitor ARN19702, in presence of Triton X-100 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, 4-(2,4,4-trimethylpentan-2-yl)phenol, ... | Authors: | Gorelik, A, Gebai, A, Illes, K, Piomelli, D, Nagar, B. | Deposit date: | 2018-07-01 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular mechanism of activation of the immunoregulatory amidase NAAA. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2Y46
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![BU of 2y46 by Molmil](/molmil-images/mine/2y46) | Structure of the mixed-function P450 MycG in complex with mycinamicin IV in C 2 2 21 space group | Descriptor: | BENZAMIDINE, GLYCEROL, MYCINAMICIN IV, ... | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | Deposit date: | 2011-01-05 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
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1W5H
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![BU of 1w5h by Molmil](/molmil-images/mine/1w5h) | An anti-parallel four helix bundle. | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2004-08-06 | Release date: | 2004-09-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Coiled Coils at the Edge of Configurational Heterogeneity. Structural Analyses of Parallel and Antiparallel Homotetrameric Coiled Coils Reveal Configurational Sensitivity to a Single Solvent-Exposed Amino Acid Substitution. Biochemistry, 45, 2006
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2Y5N
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![BU of 2y5n by Molmil](/molmil-images/mine/2y5n) | Structure of the mixed-function P450 MycG in complex with mycinamicin V in P21 space group | Descriptor: | GLYCEROL, MAGNESIUM ION, MYCINAMICIN V, ... | Authors: | Li, S, Kells, P.M, Sherman, D.H, Podust, L.M. | Deposit date: | 2011-01-15 | Release date: | 2012-02-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
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6DG6
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![BU of 6dg6 by Molmil](/molmil-images/mine/6dg6) | Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic | Descriptor: | Neoleukin-2/15 | Authors: | Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C. | Deposit date: | 2018-05-16 | Release date: | 2019-01-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | De novo design of potent and selective mimics of IL-2 and IL-15. Nature, 565, 2019
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1W6U
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![BU of 1w6u by Molmil](/molmil-images/mine/1w6u) | Structure of human DECR ternary complex | Descriptor: | 2,4-DIENOYL-COA REDUCTASE, MITOCHONDRIAL PRECURSOR, HEXANOYL-COENZYME A, ... | Authors: | Alphey, M.S, Byres, E, Li, D, Hunter, W.N. | Deposit date: | 2004-08-24 | Release date: | 2004-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site J.Biol.Chem., 280, 2005
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4FL3
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![BU of 4fl3 by Molmil](/molmil-images/mine/4fl3) | Structural and Biophysical Characterization of the Syk Activation Switch | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase SYK | Authors: | Graedler, U, Schwarz, D, Dresing, V, Musil, M, Bomke, J, Frech, M, Jaekel, S, Rysiok, T, Mueller-Pompalla, D, Wegener, A. | Deposit date: | 2012-06-14 | Release date: | 2012-11-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and biophysical characterization of the syk activation switch. J.Mol.Biol., 425, 2013
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5VHF
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![BU of 5vhf by Molmil](/molmil-images/mine/5vhf) | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 10, ... | Authors: | Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | Deposit date: | 2017-04-13 | Release date: | 2017-08-23 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle. Mol. Cell, 67, 2017
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5VHH
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![BU of 5vhh by Molmil](/molmil-images/mine/5vhh) | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 10, ... | Authors: | Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | Deposit date: | 2017-04-13 | Release date: | 2017-08-23 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle. Mol. Cell, 67, 2017
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5VHI
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![BU of 5vhi by Molmil](/molmil-images/mine/5vhi) | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle | Descriptor: | 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 10, ... | Authors: | Lu, Y, Wu, J, Dong, Y, Chen, S, Sun, S, Ma, Y.B, Ouyang, Q, Finley, D, Kirschner, M.W, Mao, Y. | Deposit date: | 2017-04-13 | Release date: | 2017-08-23 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | Conformational Landscape of the p28-Bound Human Proteasome Regulatory Particle. Mol. Cell, 67, 2017
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2XVA
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![BU of 2xva by Molmil](/molmil-images/mine/2xva) | Crystal structure of the tellurite detoxification protein TehB from E. coli in complex with sinefungin | Descriptor: | SINEFUNGIN, TELLURITE RESISTANCE PROTEIN TEHB, ZINC ION | Authors: | Choudhury, H.G, Cameron, A.D, Iwata, S, Beis, K. | Deposit date: | 2010-10-25 | Release date: | 2011-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and Mechanism of the Chalcogen Detoxifying Protein Tehb from Escherichia Coli. Biochem.J., 435, 2011
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5WEJ
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![BU of 5wej by Molmil](/molmil-images/mine/5wej) | 1.95 A resolution structure of Norovirus 3CL protease in complex with a dipeptidyl oxazolidinone-based inhibitor | Descriptor: | (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide, Genome polyprotein | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Rathnayake, A.D, Nguyen, H.N, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-07-10 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL protease. Eur J Med Chem, 143, 2017
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3KRY
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![BU of 3kry by Molmil](/molmil-images/mine/3kry) | Crystal structure of MMP-13 in complex with SC-78080 | Descriptor: | 1-(2-methoxyethyl)-N-oxo-4-({4-[4-(trifluoromethoxy)phenoxy]phenyl}sulfonyl)piperidine-4-carboxamide, CALCIUM ION, Collagenase 3, ... | Authors: | Kiefer, J.R, Williams, J.M, Becker, D.P. | Deposit date: | 2009-11-19 | Release date: | 2010-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Orally-active MMP-1 sparing alpha-tetrahydropyranyl and alpha-piperidinyl sulfone matrix metalloproteinase (MMP) inhibitors with efficacy in cancer, arthritis, and cardiovascular disease J.Med.Chem., 53, 2010
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5W7P
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![BU of 5w7p by Molmil](/molmil-images/mine/5w7p) | Crystal structure of OxaC | Descriptor: | OxaC, S-ADENOSYLMETHIONINE | Authors: | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | Deposit date: | 2017-06-20 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway. Org. Biomol. Chem., 16, 2018
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2XIX
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![BU of 2xix by Molmil](/molmil-images/mine/2xix) | Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen | Descriptor: | 3,5-DIAMINO-1H-[1,2,4]TRIAZOLE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | Deposit date: | 2010-07-01 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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4OG4
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![BU of 4og4 by Molmil](/molmil-images/mine/4og4) | Human menin with bound inhibitor MIV-3S | Descriptor: | 4-(3-{4-[(S)-cyclopentyl(hydroxy)phenylmethyl]piperidin-1-yl}propoxy)benzonitrile, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | He, S, Senter, T.J, Pollock, J.W, Han, C, Upadhyay, S.K, Purohit, T, Gogliotti, R.D, Lindsley, C.W, Cierpicki, T, Stauffer, S.R, Grembecka, J. | Deposit date: | 2014-01-15 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (MLL) Interaction Closely Mimic a Natural Protein-Protein Interaction. J.Med.Chem., 57, 2014
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2XJ2
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![BU of 2xj2 by Molmil](/molmil-images/mine/2xj2) | Protein kinase Pim-1 in complex with small molecule inhibitor | Descriptor: | (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | Deposit date: | 2010-07-01 | Release date: | 2011-02-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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6XPG
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![BU of 6xpg by Molmil](/molmil-images/mine/6xpg) | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography | Descriptor: | Lysophospholipase L1 | Authors: | Kim, Y, Sherrell, D.A, Owen, R, Axford, D, Ebrahim, A, Johnson, J, Welk, L, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2020-07-08 | Release date: | 2020-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography To Be Published
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