4WMD
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![BU of 4wmd by Molmil](/molmil-images/mine/4wmd) | Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup C2221 | Descriptor: | DI(HYDROXYETHYL)ETHER, ORF1a, PENTAETHYLENE GLYCOL, ... | Authors: | Lountos, G.T, Needle, D, Waugh, D.S. | Deposit date: | 2014-10-08 | Release date: | 2015-05-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.585 Å) | Cite: | Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity. Acta Crystallogr.,Sect.D, 71, 2015
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2HL9
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4WOP
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![BU of 4wop by Molmil](/molmil-images/mine/4wop) | Nucleotide Triphosphate Promiscuity in Mycobacterium tuberculosis Dethiobiotin Synthetase | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, CYTIDINE-5'-TRIPHOSPHATE, SULFATE ION | Authors: | Salaemae, W, Yap, M.Y, Wegener, K.L, Booker, G.W, Wilce, M.C.J, Polyak, S.W. | Deposit date: | 2014-10-16 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.393 Å) | Cite: | Nucleotide triphosphate promiscuity in Mycobacterium tuberculosis dethiobiotin synthetase. Tuberculosis (Edinb), 95, 2015
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6AI9
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![BU of 6ai9 by Molmil](/molmil-images/mine/6ai9) | Cab2 mutant-H337A complex with phosphopantothenate | Descriptor: | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, Phosphopantothenate--cysteine ligase CAB2 | Authors: | Zheng, P, Zhu, Z. | Deposit date: | 2018-08-22 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae. J. Mol. Biol., 431, 2019
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6AII
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![BU of 6aii by Molmil](/molmil-images/mine/6aii) | Catalytic domain of PdAgaC | Descriptor: | Beta-agarase, CALCIUM ION | Authors: | Teh, A.H, Fazli, N.H. | Deposit date: | 2018-08-23 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystal structure of a neoagarobiose-producing GH16 family beta-agarase from Persicobacter sp. CCB-QB2. Appl.Microbiol.Biotechnol., 104, 2020
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4WQL
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![BU of 4wql by Molmil](/molmil-images/mine/4wql) | Crystal structure of aminoglycoside nucleotidylyltransferase ANT(2")-Ia, kanamycin-bound | Descriptor: | 2''-aminoglycoside nucleotidyltransferase, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Cox, G, Stogios, P.J, Savchenko, A, Wright, G.D, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-10-22 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural and Molecular Basis for Resistance to Aminoglycoside Antibiotics by the Adenylyltransferase ANT(2)-Ia. Mbio, 6, 2015
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6A4Q
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![BU of 6a4q by Molmil](/molmil-images/mine/6a4q) | HEWL crystals soaked in 2.5M GuHCl for 110 minutes | Descriptor: | CHLORIDE ION, GLYCEROL, GUANIDINE, ... | Authors: | Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V. | Deposit date: | 2018-06-20 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding. Int. J. Biol. Macromol., 122, 2019
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6A6H
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7AY3
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5E2R
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![BU of 5e2r by Molmil](/molmil-images/mine/5e2r) | The crystal structure of the human carbonic anhydrase II in complex with a 1,1'-biphenyl-4-sulfonamide inhibitor | Descriptor: | 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Alterio, V, De Simone, G. | Deposit date: | 2015-10-01 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of 1,1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors. J.Med.Chem., 58, 2015
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5ZYM
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![BU of 5zym by Molmil](/molmil-images/mine/5zym) | Crystal structure of CERT START domain in complex with compound E25B | Descriptor: | 2-[4-[4-cyclopentyl-3-[(1~{R},2~{S})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT | Authors: | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | Deposit date: | 2018-05-25 | Release date: | 2019-02-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT Commun Chem, 2019
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5ECX
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![BU of 5ecx by Molmil](/molmil-images/mine/5ecx) | Klebsiella pneumoniae DfrA1 complexed with NADPH and 6-ethyl-5-(3-(6-(pyridin-4-yl)benzo[d][1,3]dioxol-4-yl)but-1-yn-1-yl)pyrimidine-2,4-diamine | Descriptor: | 6-ethyl-5-[(3~{S})-3-(6-pyridin-4-yl-1,3-benzodioxol-4-yl)but-1-ynyl]pyrimidine-2,4-diamine, Dehydrofolate reductase type I, GLYCEROL, ... | Authors: | Lombardo, M.N, Anderson, A.C. | Deposit date: | 2015-10-20 | Release date: | 2016-05-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structures of Trimethoprim-Resistant DfrA1 Rationalize Potent Inhibition by Propargyl-Linked Antifolates. ACS Infect Dis, 2, 2016
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5BN5
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![BU of 5bn5 by Molmil](/molmil-images/mine/5bn5) | Structural basis for a unique ATP synthase core complex from Nanoarcheaum equitans | Descriptor: | NEQ263, SULFATE ION, V-type ATP synthase alpha chain | Authors: | Mohanty, S, Jobichen, C, Chichili, V.P.R, Sivaraman, J. | Deposit date: | 2015-05-25 | Release date: | 2015-09-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.997 Å) | Cite: | Structural Basis for a Unique ATP Synthase Core Complex from Nanoarcheaum equitans J.Biol.Chem., 290, 2015
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6A3K
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![BU of 6a3k by Molmil](/molmil-images/mine/6a3k) | Crystal structure of cytochrome c' from Shewanella benthica DB6705 | Descriptor: | Cytochrome c, HEME C, PENTAETHYLENE GLYCOL | Authors: | Suka, A, Oki, H, Kato, Y, Kawahara, K, Ohkubo, T, Maruno, T, Kobayashi, Y, Fujii, S, Wakai, S, Sambongi, Y. | Deposit date: | 2018-06-15 | Release date: | 2019-06-12 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Stability of cytochromes c' from psychrophilic and piezophilic Shewanella species: implications for complex multiple adaptation to low temperature and high hydrostatic pressure. Extremophiles, 23, 2019
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4WLQ
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![BU of 4wlq by Molmil](/molmil-images/mine/4wlq) | Crystal structure of mUCH37-hRPN13 CTD complex | Descriptor: | Proteasomal ubiquitin receptor ADRM1, Ubiquitin carboxyl-terminal hydrolase isozyme L5 | Authors: | Hemmis, C.W, Hill, C.P, VanderLinden, R, Whitby, F.G. | Deposit date: | 2014-10-07 | Release date: | 2015-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural Basis for the Activation and Inhibition of the UCH37 Deubiquitylase. Mol.Cell, 57, 2015
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6A4O
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![BU of 6a4o by Molmil](/molmil-images/mine/6a4o) | HEWL crystals soaked in 2.5M GuHCl for 20 minutes | Descriptor: | CHLORIDE ION, GLYCEROL, GUANIDINE, ... | Authors: | Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V. | Deposit date: | 2018-06-20 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding. Int. J. Biol. Macromol., 122, 2019
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5EBC
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![BU of 5ebc by Molmil](/molmil-images/mine/5ebc) | Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P21 (state III) | Descriptor: | CALCIUM ION, ESX-1 secretion system protein eccB1 | Authors: | Zhang, X.L, Qi, C, Xie, X.Q, Li, D.F, Bi, L.J. | Deposit date: | 2015-10-19 | Release date: | 2016-02-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystallographic observation of the movement of the membrane-distal domain of the T7SS core component EccB1 from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.F, 72, 2016
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5BTS
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4X5K
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5ER4
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![BU of 5er4 by Molmil](/molmil-images/mine/5er4) | Crystal Structure of Calcium-loaded S100B bound to SC0025 | Descriptor: | 6-methyl-5,6,6~{a},7-tetrahydro-4~{H}-dibenzo[de,g]quinoline-10,11-diol, CALCIUM ION, Protein S100-B | Authors: | Cavalier, M.C, Melville, Z.E, Aligholizadeh, E, Fang, L, Alasady, M.J, Pierce, A.D, Wilder, P.T, MacKerell Jr, A.D, Weber, D.J. | Deposit date: | 2015-11-13 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.813 Å) | Cite: | Novel protein-inhibitor interactions in site 3 of Ca(2+)-bound S100B as discovered by X-ray crystallography. Acta Crystallogr D Struct Biol, 72, 2016
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7AQ1
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![BU of 7aq1 by Molmil](/molmil-images/mine/7aq1) | Crystal structure of human mature meprin beta in complex with the specific inhibitor MWT-S-270 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Linnert, M, Parthier, C, Fritz, C. | Deposit date: | 2020-10-20 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.413 Å) | Cite: | Structure and Dynamics of Meprin beta in Complex with a Hydroxamate-Based Inhibitor. Int J Mol Sci, 22, 2021
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5B6Q
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![BU of 5b6q by Molmil](/molmil-images/mine/5b6q) | Crystal structure of monomeric cytochrome c5 from Shewanella violacea | Descriptor: | HEME C, IMIDAZOLE, Soluble cytochrome cA | Authors: | Masanari, M, Fujii, S, Kawahara, K, Oki, H, Tsujino, H, Maruno, T, Kobayashi, Y, Ohkubo, T, Nishiyama, M, Harada, Y, Wakai, S, Sambongi, Y. | Deposit date: | 2016-06-01 | Release date: | 2016-10-19 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Comparative study on stabilization mechanism of monomeric cytochrome c5 from deep-sea piezophilic Shewanella violacea Biosci.Biotechnol.Biochem., 2016
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5B3I
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![BU of 5b3i by Molmil](/molmil-images/mine/5b3i) | Homo-dimeric structure of cytochrome c' from Thermophilic Hydrogenophilus thermoluteolus | Descriptor: | Cytochrome c prime, HEME C | Authors: | Fujii, S, Oki, H, Kawahara, K, Yamane, D, Yamanaka, M, Maruno, T, Kobayashi, Y, Masanari, M, Wakai, S, Nishihara, H, Ohkubo, T, Sambongi, Y. | Deposit date: | 2016-02-29 | Release date: | 2017-03-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural and functional insights into thermally stable cytochrome c' from a thermophile Protein Sci., 26, 2017
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7B0L
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7AVI
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![BU of 7avi by Molmil](/molmil-images/mine/7avi) | Crystal structure of SOS1 in complex with compound 2 | Descriptor: | 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide, Son of sevenless homolog 1 | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | Deposit date: | 2020-11-05 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
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