3CD8
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![BU of 3cd8 by Molmil](/molmil-images/mine/3cd8) | X-ray Structure of c-Met with triazolopyridazine Inhibitor. | Descriptor: | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline, Hepatocyte growth factor receptor | Authors: | Bellon, S.F, Albrecht, B.K, Harmange, J.-C, Bauer, D, Choquette, D, Dussault, I. | Deposit date: | 2008-02-26 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase. J.Med.Chem., 51, 2008
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4EZA
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![BU of 4eza by Molmil](/molmil-images/mine/4eza) | Crystal structure of the atypical phosphoinositide (aPI) binding domain of IQGAP2 | Descriptor: | Ras GTPase-activating-like protein IQGAP2 | Authors: | Van Aalten, D.M.F, Dixon, M.J, Gray, A, Schenning, M, Agacan, M, Leslie, N.R, Downes, C.P, Batty, I.H, Nedyalkova, L, Tempel, W, Tong, Y, Zhong, N, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-05-02 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | IQGAP Proteins Reveal an Atypical Phosphoinositide (aPI) Binding Domain with a Pseudo C2 Domain Fold. J.Biol.Chem., 287, 2012
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4IFA
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![BU of 4ifa by Molmil](/molmil-images/mine/4ifa) | 1.5 Angstrom resolution crystal structure of an extracellular protein containing a SCP domain from Bacillus anthracis str. Ames | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Shatsman, S, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-12-14 | Release date: | 2012-12-26 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 1.5 Angstrom resolution crystal structure of an extracellular protein containing a SCP domain from Bacillus anthracis str. Ames To be Published
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4F3Z
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![BU of 4f3z by Molmil](/molmil-images/mine/4f3z) | Crystal structure of a swine H1N2 influenza virus hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Xu, R, Wilson, I.A. | Deposit date: | 2012-05-09 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Functional Balance of the Hemagglutinin and Neuraminidase Activities Accompanies the Emergence of the 2009 H1N1 Influenza Pandemic. J.Virol., 86, 2012
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4IGV
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![BU of 4igv by Molmil](/molmil-images/mine/4igv) | Crystal structure of kirola (Act d 11) | Descriptor: | CHLORIDE ION, Kirola, UNKNOWN LIGAND | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | Deposit date: | 2012-12-18 | Release date: | 2013-09-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins. Mol.Immunol., 56, 2013
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4IEF
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![BU of 4ief by Molmil](/molmil-images/mine/4ief) | Complex of Porphyromonas gingivalis RgpB pro- and mature domains | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BARIUM ION, CALCIUM ION, ... | Authors: | de Diego, I, Veillard, F.T, Guevara, T, Potempa, B, Sztukowska, M, Potempa, J, Gomis-Ruth, F.X. | Deposit date: | 2012-12-13 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Porphyromonas gingivalis Virulence Factor Gingipain RgpB Shows a Unique Zymogenic Mechanism for Cysteine Peptidases. J.Biol.Chem., 288, 2013
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4IH0
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![BU of 4ih0 by Molmil](/molmil-images/mine/4ih0) | Crystal structure of kirola (Act d 11) from crystal soaked with serotonin | Descriptor: | CHLORIDE ION, Kirola, MAGNESIUM ION, ... | Authors: | Chruszcz, M, Ciardiello, M.A, Giangrieco, I, Osinski, T, Minor, W. | Deposit date: | 2012-12-18 | Release date: | 2013-09-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and bioinformatic analysis of the kiwifruit allergen Act d 11, a member of the family of ripening-related proteins. Mol.Immunol., 56, 2013
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6MJW
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![BU of 6mjw by Molmil](/molmil-images/mine/6mjw) | human cGAS catalytic domain bound with the inhibitor G150 | Descriptor: | 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | Deposit date: | 2018-09-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.405 Å) | Cite: | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression. Nat Commun, 10, 2019
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6IAY
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6I2N
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![BU of 6i2n by Molmil](/molmil-images/mine/6i2n) | Helical RNA-bound Hantaan virus nucleocapsid | Descriptor: | Nucleoprotein, RNA (5'-R(P*UP*UP*U)-3') | Authors: | Arragain, B, Reguera, J, Desfosses, A, Gutsche, I, Schoehn, G, Malet, H. | Deposit date: | 2018-11-01 | Release date: | 2019-01-23 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | High resolution cryo-EM structure of the helical RNA-bound Hantaan virus nucleocapsid reveals its assembly mechanisms. Elife, 8, 2019
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4I2R
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![BU of 4i2r by Molmil](/molmil-images/mine/4i2r) | 2.15 Angstroms X-ray crystal structure of NAD- and alternative substrate-bound 2-aminomuconate 6-semialdehyde dehydrogenase from Pseudomonas fluorescens | Descriptor: | (2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Huo, L, Davis, I, Chen, L, Liu, A. | Deposit date: | 2012-11-22 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action. Nat Commun, 6, 2015
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4ZI9
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![BU of 4zi9 by Molmil](/molmil-images/mine/4zi9) | Structure of mouse clustered PcdhgA1 EC1-3 | Descriptor: | CALCIUM ION, MCG133388, isoform CRA_t | Authors: | Nicoludis, J.M, Lau, S.-Y, Scharfe, C.P.I, Marks, D.S, Weihofen, W.A, Gaudet, R. | Deposit date: | 2015-04-27 | Release date: | 2015-10-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and Sequence Analyses of Clustered Protocadherins Reveal Antiparallel Interactions that Mediate Homophilic Specificity. Structure, 23, 2015
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5V0Y
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![BU of 5v0y by Molmil](/molmil-images/mine/5v0y) | Solution structure of arenicin-3. | Descriptor: | arenicin-3 | Authors: | Edwards, I.A, Mobli, M. | Deposit date: | 2017-02-28 | Release date: | 2018-08-08 | Last modified: | 2020-06-10 | Method: | SOLUTION NMR | Cite: | An amphipathic peptide with antibiotic activity against multidrug-resistant Gram-negative bacteria Nat Commun, 2020
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5V2A
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![BU of 5v2a by Molmil](/molmil-images/mine/5v2a) | Crystal structure of Fab H7.167 in complex with influenza virus hemagglutinin from A/Shanghai/02/2013 (H7N9) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H7.167 antibody, Hemagglutinin, ... | Authors: | Zhang, H, Zhu, X, Wilson, I.A. | Deposit date: | 2017-03-03 | Release date: | 2017-04-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.656 Å) | Cite: | H7N9 influenza virus neutralizing antibodies that possess few somatic mutations. J. Clin. Invest., 126, 2016
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6MVI
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![BU of 6mvi by Molmil](/molmil-images/mine/6mvi) | Apo Cel45A from Neurospora crassa OR74A | Descriptor: | Endoglucanase V | Authors: | Kadowaki, M.A.S, Polikarpov, I. | Deposit date: | 2018-10-25 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structural insights into the hydrolysis pattern and molecular dynamics simulations of GH45 subfamily a endoglucanase from Neurospora crassa OR74A. Biochimie, 165, 2019
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4HXE
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![BU of 4hxe by Molmil](/molmil-images/mine/4hxe) | Pyrococcus horikoshii acylaminoacyl peptidase (uncomplexed) | Descriptor: | HEXANE-1,6-DIOL, MAGNESIUM ION, Putative uncharacterized protein PH0594 | Authors: | Tichy-Racs, E, Hornung, B, Radi, K, Menyhard, D.K, Kiss-Szeman, A, Szeltner, Z, Domokos, K, Szamosi, I, Naray-Szabo, G, Polgar, L, Harmat, V. | Deposit date: | 2012-11-09 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION. J.Biol.Chem., 288, 2013
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4HW8
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![BU of 4hw8 by Molmil](/molmil-images/mine/4hw8) | 2.25 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with Maltose. | Descriptor: | Bacterial extracellular solute-binding protein, putative, CHLORIDE ION, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-11-07 | Release date: | 2012-11-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | 2.25 Angstrom Structure of the Extracellular Solute-binding Protein from Staphylococcus aureus in complex with Maltose. TO BE PUBLISHED
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6MK4
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4I1W
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![BU of 4i1w by Molmil](/molmil-images/mine/4i1w) | 2.00 Angstroms X-ray crystal structure of NAD- bound 2-aminomuconate 6-semialdehyde dehydrogenase from Pseudomonas fluorescens | Descriptor: | 2-aminomuconate 6-semialdehyde dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Huo, L, Davis, I, Chen, L, Liu, A. | Deposit date: | 2012-11-21 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action. Nat Commun, 6, 2015
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6MVJ
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![BU of 6mvj by Molmil](/molmil-images/mine/6mvj) | Cellobiose complex Cel45A from Neurospora crassa OR74A | Descriptor: | Endoglucanase V, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Kadowaki, M.A.S, Polikarpov, I. | Deposit date: | 2018-10-25 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.809 Å) | Cite: | Structural insights into the hydrolysis pattern and molecular dynamics simulations of GH45 subfamily a endoglucanase from Neurospora crassa OR74A. Biochimie, 165, 2019
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4C88
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![BU of 4c88 by Molmil](/molmil-images/mine/4c88) | Esterase LpEst1 from Lactobacillus plantarum: native structure | Descriptor: | ESTERASE | Authors: | Alvarez, Y, Esteban-Torres, M, Cortes-Cabrera, A, Gago, F, Acebron, I, Benavente, R, Mardo, K, de-las-Rivas, B, Munoz, R, Mancheno, J.M. | Deposit date: | 2013-09-30 | Release date: | 2014-04-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Esterase Lpest1 from Lactobacillus Plantarum: A Novel and Atypical Member of the Alpha Beta Hydrolase Superfamily of Enzymes Plos One, 9, 2014
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6KEC
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![BU of 6kec by Molmil](/molmil-images/mine/6kec) | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | Descriptor: | 4-ethoxy-5,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | Authors: | Lee, B.I, Park, T.H. | Deposit date: | 2019-07-04 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research. Molecules, 26, 2021
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4I26
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![BU of 4i26 by Molmil](/molmil-images/mine/4i26) | 2.20 Angstroms X-ray crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase from Pseudomonas fluorescens | Descriptor: | 1,2-ETHANEDIOL, 2-aminomuconate 6-semialdehyde dehydrogenase, SODIUM ION | Authors: | Davis, I, Huo, L, Chen, L, Liu, A. | Deposit date: | 2012-11-21 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action. Nat Commun, 6, 2015
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6KEH
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![BU of 6keh by Molmil](/molmil-images/mine/6keh) | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | Descriptor: | 6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | Authors: | Lee, B.I, Park, T.H. | Deposit date: | 2019-07-04 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.553 Å) | Cite: | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research. Molecules, 26, 2021
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6KEJ
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![BU of 6kej by Molmil](/molmil-images/mine/6kej) | Crystal structure of BRD4 bromodomain 1 (BD1) in complex with 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one | Descriptor: | 6-[2-(diethylamino)ethoxy]-16-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-one, Bromodomain-containing protein 4, FORMIC ACID | Authors: | Lee, B.I, Park, T.H. | Deposit date: | 2019-07-04 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Synthesis and Structure-Activity Relationships of Aristoyagonine Derivatives as Brd4 Bromodomain Inhibitors with X-ray Co-Crystal Research. Molecules, 26, 2021
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