2VMN
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![BU of 2vmn by Molmil](/molmil-images/mine/2vmn) | Crystal structure of N341AbsSHMT internal aldimine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Rajaram, V, Pai, V.R, Bisht, S, Bhavani, B.S, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. | Deposit date: | 2008-01-29 | Release date: | 2008-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural and Functional Studies of Bacillus Stearothermophilus Serine Hydroxymethyltransferase: The Role of Asn(341), Tyr(60) and Phe(351) in Tetrahydrofolate Binding. Biochem.J., 418, 2009
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2V2N
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2VID
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![BU of 2vid by Molmil](/molmil-images/mine/2vid) | Serine protease SplB from Staphylococcus aureus at 1.8A resolution | Descriptor: | SERINE PROTEASE SPLB | Authors: | Dubin, G, Stec-Niemczyk, J, Kisielewska, M, Pustelny, K, Popowicz, G.M, Bista, M, Kantyka, T, Boulware, K.T, Stennicke, H.R, Czarna, A, Phopaisarn, M, Daugherty, P.S, Thogersen, I.B, Enghild, J.J, Thornberry, N, Dubin, A, Potempa, J. | Deposit date: | 2007-11-30 | Release date: | 2008-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Enzymatic Activity of the Staphylococcus Aureus Splb Serine Protease is Induced by Substrates Containing the Sequence Trp-Glu-Leu-Gln. J.Mol.Biol., 379, 2008
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5TUY
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![BU of 5tuy by Molmil](/molmil-images/mine/5tuy) | Structure of human G9a SET-domain (EHMT2) in complex with inhibitor MS0124 | Descriptor: | 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | Authors: | Babault, N, Xiong, Y, Liu, J, Jin, J. | Deposit date: | 2016-11-07 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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5TUZ
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![BU of 5tuz by Molmil](/molmil-images/mine/5tuz) | Structure of human GLP SET-domain (EHMT1) in complex with inhibitor MS0124 | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT1, ... | Authors: | Babault, N, Xiong, Y, Liu, J, Jin, J. | Deposit date: | 2016-11-07 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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5TY5
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![BU of 5ty5 by Molmil](/molmil-images/mine/5ty5) | Neutron structure from microgravity-grown crystals of Inorganic Pyrophosphatase from Thermococcus theoreducens | Descriptor: | Inorganic pyrophosphatase | Authors: | Inoguchi, N, Coates, L, Morris, M.L, Singhal, A, Monaco, D.A, Garcia-Ruiz, J.M, Pusey, M.L, Ng, J.D. | Deposit date: | 2016-11-18 | Release date: | 2017-11-22 | Last modified: | 2023-10-04 | Method: | NEUTRON DIFFRACTION (2.3 Å) | Cite: | Structure-function analysis of the neutron crystallographic structure of inorganic pyrophosphatase determined from microgravity-grown crystals Acta Crystallogr.,Sect.A, 73, 2017
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5TYT
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![BU of 5tyt by Molmil](/molmil-images/mine/5tyt) | Crystal Structure of the PDZ domain of RhoGEF bound to CXCR2 C-terminal peptide | Descriptor: | Rho guanine nucleotide exchange factor 11, C-X-C chemokine receptor type 2 chimera | Authors: | Spellmon, N, Holcomb, J, Niu, A, Choudhary, V, Sun, X, Brunzelle, J, Li, C, Yang, Z. | Deposit date: | 2016-11-21 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.398 Å) | Cite: | Structural basis of PDZ-mediated chemokine receptor CXCR2 scaffolding by guanine nucleotide exchange factor PDZ-RhoGEF. Biochem. Biophys. Res. Commun., 485, 2017
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2R5L
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![BU of 2r5l by Molmil](/molmil-images/mine/2r5l) | Crystal structure of lactoperoxidase at 2.4A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ... | Authors: | Singh, A.K, Singh, N, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2007-09-04 | Release date: | 2007-09-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of Lactoperoxidase at 2.4 A Resolution. J.Mol.Biol., 376, 2007
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2R70
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![BU of 2r70 by Molmil](/molmil-images/mine/2r70) | Crystal structure of infectious bursal disease virus VP1 polymerase, cocrystallized with an oligopeptide mimicking the VP3 C-terminus. | Descriptor: | INFECTIOUS BURSAL VIRUS VP1 POLYMERASE | Authors: | Garriga, D, Navarro, A, Querol-Audi, J, Abaitua, F, Rodriguez, J.F, Verdaguer, N. | Deposit date: | 2007-09-07 | Release date: | 2007-11-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Activation mechanism of a noncanonical RNA-dependent RNA polymerase. Proc.Natl.Acad.Sci.Usa, 104, 2007
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5U63
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![BU of 5u63 by Molmil](/molmil-images/mine/5u63) | Crystal structure of putative thioredoxin reductase from Haemophilus influenzae | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Michalska, K, Maltseva, N, Mulligan, R, Grimshaw, S, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-12-07 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structure of putative thioredoxin reductase from Haemophilus influenzae To Be Published
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2RFD
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![BU of 2rfd by Molmil](/molmil-images/mine/2rfd) | Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide | Descriptor: | ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor, SULFATE ION | Authors: | Zhang, X, Pickin, K.A, Bose, R, Jura, N, Cole, P.A, Kuriyan, J. | Deposit date: | 2007-09-28 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Inhibition of the EGF receptor by binding of MIG6 to an activating kinase domain interface. Nature, 450, 2007
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4CP9
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![BU of 4cp9 by Molmil](/molmil-images/mine/4cp9) | Crystal structure OF lecA lectin complexed with a divalent galactoside at 1.65 angstrom | Descriptor: | (4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Topin, J, Varrot, A, Imberty, A, Wissinger, N. | Deposit date: | 2014-02-04 | Release date: | 2014-10-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Leca Ligand Identified from a Galactoside-Conjugate Array Inhibits Host Cell Invasion by Pseudomonas Aeruginosa. Angew.Chem.Int.Ed.Engl., 53, 2014
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1HSL
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1J2V
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![BU of 1j2v by Molmil](/molmil-images/mine/1j2v) | Crystal Structure of CutA1 from Pyrococcus Horikoshii | Descriptor: | 102AA long hypothetical periplasmic divalent cation tolerance protein CUTA | Authors: | Tanaka, Y, Sakai, N, Yasutake, Y, Yao, M, Tsumoto, K, Kumagai, I, Tanaka, I. | Deposit date: | 2003-01-11 | Release date: | 2004-01-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural implications for heavy metal-induced reversible assembly and aggregation of a protein: the case of Pyrococcus horikoshii CutA. Febs Lett., 556, 2004
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5WC3
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![BU of 5wc3 by Molmil](/molmil-images/mine/5wc3) | SpoIIIAG | Descriptor: | SpoIIIAG, Stage III sporulation engulfment assemblyprotein | Authors: | Zeytuni, N, Hong, C, Worrall, L.J, Huang, R.K, Yu, Z, Strynadka, N.C.J. | Deposit date: | 2017-06-29 | Release date: | 2017-08-16 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Near-atomic resolution cryoelectron microscopy structure of the 30-fold homooligomeric SpoIIIAG channel essential to spore formation in Bacillus subtilis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2VMQ
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![BU of 2vmq by Molmil](/molmil-images/mine/2vmq) | Structure of N341AbsSHMT crystallized in the presence of L-allo-Thr | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, PHOSPHATE ION, ... | Authors: | Rajaram, V, Pai, V.R, Bisht, S, Bhavani, B.S, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. | Deposit date: | 2008-01-29 | Release date: | 2008-12-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural and Functional Studies of Bacillus Stearothermophilus Serine Hydroxymethyltransferase: The Role of Asn(341), Tyr(60) and Phe(351) in Tetrahydrofolate Binding. Biochem.J., 418, 2009
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2V2J
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5WKV
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7YF6
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![BU of 7yf6 by Molmil](/molmil-images/mine/7yf6) | Crystal structure of HIV-1 protease in complex with macrocyclic peptide | Descriptor: | MAGNESIUM ION, Macrocyclic Peptide, Protease | Authors: | Kusumoto, Y, Sato, S, Yamada, T, Kozono, I, Nakata, Z, Asada, N, Mitsuki, S, Wakasa-Morimoto, C, Tohru, M, Watanabe, A, Hayashi, K, Mikamiyama, H. | Deposit date: | 2022-07-07 | Release date: | 2022-11-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Highly Potent and Oral Macrocyclic Peptides as a HIV-1 Protease Inhibitor: mRNA Display-Derived Hit-to-Lead Optimization. Acs Med.Chem.Lett., 13, 2022
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2VGT
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![BU of 2vgt by Molmil](/molmil-images/mine/2vgt) | Crystal structure of E53QbsSHMT with glycine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCINE, PHOSPHATE ION, ... | Authors: | Rajaram, V, Bhavani, B.S, Kaul, P, Prakash, V, Appaji Rao, N, Savithri, H.S, Murthy, M.R.N. | Deposit date: | 2007-11-15 | Release date: | 2007-12-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure Determination and Biochemical Studies on Bacillus Stearothermophilus E53Q Serine Hydroxymethyltransferase and its Complexes Provide Insights on Function and Enzyme Memory FEBS J., 274, 2007
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2VF2
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![BU of 2vf2 by Molmil](/molmil-images/mine/2vf2) | X-ray crystal structure of HsaD from Mycobacterium tuberculosis | Descriptor: | 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, GLYCEROL, SULFATE ION | Authors: | Lack, N, Lowe, E.D, Liu, J, Eltis, L.D, Noble, M.E.M, Sim, E, Westwood, I.M. | Deposit date: | 2007-10-29 | Release date: | 2007-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of Hsad, a Steroid-Degrading Hydrolase, from Mycobacterium Tuberculosis. Acta Crystallogr.,Sect.F, 64, 2008
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1IW4
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![BU of 1iw4 by Molmil](/molmil-images/mine/1iw4) | Solution structure of ascidian trypsin inhibitor | Descriptor: | trypsin inhibitor | Authors: | Hemmi, H, Yoshida, T, Kumazaki, T, Nemoto, N, Hasegawa, J, Nishioka, F, Kyogoku, Y, Yokosawa, H, Kobayashi, Y. | Deposit date: | 2002-04-19 | Release date: | 2002-08-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution structure of ascidian trypsin inhibitor determined by nuclear magnetic resonance spectroscopy. Biochemistry, 41, 2002
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5WKL
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![BU of 5wkl by Molmil](/molmil-images/mine/5wkl) | 1.85 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 17 | Descriptor: | (1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C. | Deposit date: | 2017-07-25 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem, 150, 2018
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5WR2
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![BU of 5wr2 by Molmil](/molmil-images/mine/5wr2) | Thermolysin, SFX liganded form with oil-based carrier | Descriptor: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ... | Authors: | Kunishima, N, Naitow, H, Matsuura, Y. | Deposit date: | 2016-11-29 | Release date: | 2017-08-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation Acta Crystallogr D Struct Biol, 73, 2017
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2UV1
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