8FCI
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![BU of 8fci by Molmil](/molmil-images/mine/8fci) | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Lavallee, T, Mehta, K, Young, A, Cortes, J, Isaacson, B, Brylewski, J, Schlegel, F, Doti, L, Battaile, K, Stojanoff, V, Perez, A, Bolen, R. | Deposit date: | 2022-12-01 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | tRNA (N1G37) Methyltransferase (TrmD) of Mycobacterium avium complexed with S-Adenosyl homocysteine To Be Published
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3P8A
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![BU of 3p8a by Molmil](/molmil-images/mine/3p8a) | Crystal Structure of a hypothetical protein from Staphylococcus aureus | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Lam, R, Qiu, W, Battaile, K, Lam, K, Romanov, V, Chan, T, Pai, E, Chirgadze, N.Y. | Deposit date: | 2010-10-13 | Release date: | 2011-10-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of a hypothetical protein from Staphylococcus aureus To be Published
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3P8K
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![BU of 3p8k by Molmil](/molmil-images/mine/3p8k) | Crystal Structure of a putative carbon-nitrogen family hydrolase from Staphylococcus aureus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gordon, R.D, Qiu, W, Battaile, K, Lam, K, Soloveychik, M, Benetteraj, D, Romanov, V, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2010-10-14 | Release date: | 2011-10-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of carbon-nitrogen family hydrolase from Staphylococcus aureus To be Published
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4H34
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![BU of 4h34 by Molmil](/molmil-images/mine/4h34) | Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y. | Deposit date: | 2012-09-13 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with Q506P mutation To be Published
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4H1O
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![BU of 4h1o by Molmil](/molmil-images/mine/4h1o) | Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation | Descriptor: | 1,2-ETHANEDIOL, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y. | Deposit date: | 2012-09-11 | Release date: | 2013-09-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with D61G mutation To be Published
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4NWG
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![BU of 4nwg by Molmil](/molmil-images/mine/4nwg) | Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y. | Deposit date: | 2013-12-06 | Release date: | 2014-12-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with E139D mutation To be Published
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4GWF
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![BU of 4gwf by Molmil](/molmil-images/mine/4gwf) | Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battaile, K, Chirgadze, N.Y. | Deposit date: | 2012-09-03 | Release date: | 2013-09-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with Y279C mutation TO BE PUBLISHED
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4NWF
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![BU of 4nwf by Molmil](/molmil-images/mine/4nwf) | Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Qiu, W, Lin, A, Hutchinson, A, Romanov, V, Ruzanov, M, Thompson, C, Lam, K, Kisselman, G, Battalie, K, Chirgadze, N.Y. | Deposit date: | 2013-12-06 | Release date: | 2014-12-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the tyrosine phosphatase SHP-2 with N308D mutation To be Published
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2VYA
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![BU of 2vya by Molmil](/molmil-images/mine/2vya) | Crystal Structure of fatty acid amide hydrolase conjugated with the drug-like inhibitor PF-750 | Descriptor: | 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ... | Authors: | Mileni, M, Johnson, D.S, Wang, Z, Everdeen, D.S, Liimatta, M, Pabst, B, Bhattacharya, K, Nugent, R.A, Kamtekar, S, Cravatt, B.F, Ahn, K, Stevens, R.C. | Deposit date: | 2008-07-22 | Release date: | 2008-09-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Guided Inhibitor Design for Human Faah by Interspecies Active Site Conversion. Proc.Natl.Acad.Sci.USA, 105, 2008
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4ZEG
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![BU of 4zeg by Molmil](/molmil-images/mine/4zeg) | Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Dual specificity protein kinase TTK, ... | Authors: | Qiu, W, Plotnikova, O, Feher, M, Awrey, D.E, Battaile, K, Chirgadze, N.Y. | Deposit date: | 2015-04-20 | Release date: | 2016-04-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor. To Be Published
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8TXA
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![BU of 8txa by Molmil](/molmil-images/mine/8txa) | Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | Authors: | Balsamo, A, Bruno, C, Edele, C, Fabian, T, Jannotta, R, Lee, R, Schryver, D, Warsaw, J, Warsaw, L, Stojanoff, V, Battaile, K, Perez, A, Bolen, R. | Deposit date: | 2023-08-23 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.591 Å) | Cite: | Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum To Be Published
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2HA8
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![BU of 2ha8 by Molmil](/molmil-images/mine/2ha8) | Methyltransferase Domain of Human TAR (HIV-1) RNA binding protein 1 | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, TAR (HIV-1) RNA loop binding protein | Authors: | Min, J, Wu, H, Zeng, H, Loppnau, P, Battaile, K, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-06-12 | Release date: | 2006-07-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of Methyltransferase Domain of Human TAR (HIV-1) RNA binding protein 1 in complex with S-adenosyl-L-homocystein. To be Published
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2OBA
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![BU of 2oba by Molmil](/molmil-images/mine/2oba) | Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase | Descriptor: | Probable 6-pyruvoyl tetrahydrobiopterin synthase, ZINC ION | Authors: | McGrath, T.E, Kisselman, G, Battaile, K, Romanov, V, Wu-Brown, J, Guthrie, J, Virag, C, Mansoury, K, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2006-12-18 | Release date: | 2007-01-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase TO BE PUBLISHED
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2O4D
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![BU of 2o4d by Molmil](/molmil-images/mine/2o4d) | Crystal Structure of a hypothetical protein from Pseudomonas aeruginosa | Descriptor: | Hypothetical protein PA0269 | Authors: | McGrath, T.E, Battaile, K, Kisselman, G, Romanov, V, Wu-Brown, J, Virag, C, Ng, I, Kimber, M, Edwards, A.M, Pai, E.F, Chirgadze, N.Y. | Deposit date: | 2006-12-04 | Release date: | 2007-01-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of a hypothetical protein from Pseudomonas aeruginosa To be Published
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2Q5R
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![BU of 2q5r by Molmil](/molmil-images/mine/2q5r) | Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase | Descriptor: | Tagatose-6-phosphate kinase | Authors: | McGrath, T.E, Soloveychik, M, Romanov, V, Thambipillai, D, Dharamsi, A, Virag, C, Domagala, M, Pai, E.F, Edwards, A.M, Battaile, K, Chirgadze, N.Y. | Deposit date: | 2007-06-01 | Release date: | 2007-06-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of apo Staphylococcus aureus D-tagatose-6-phosphate kinase TO BE PUBLISHED
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2OZR
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![BU of 2ozr by Molmil](/molmil-images/mine/2ozr) | MMP13 Catalytic Domain Complexed with 4-{[1-methyl-2,4-dioxo-6-(3-phenylprop-1-yn-1-yl)-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzoic acid | Descriptor: | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | Authors: | Johnson, A.R, Pavlovsky, A.G, Ortwine, D.F, Prior, F, Man, C.-F, Bornemeier, D.A, Banotai, C.A, Mueller, W.T, McConnell, P, Yan, C.H, Baragi, V, Lesch, C, Roark, W.H, Lie, J.J, Fasquelle, V, Wilson, M, Robertson, D, Datta, K, Guzman, R, Han, H.-K, Dyer, R.D. | Deposit date: | 2007-02-27 | Release date: | 2007-07-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects. J.Biol.Chem., 282, 2007
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4JK7
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![BU of 4jk7 by Molmil](/molmil-images/mine/4jk7) | Open and closed forms of wild-type human PRP8 RNase H-like domain with bound Mg ion | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Schellenberg, M.J, Wu, T, Ritchie, D.B, Atta, K, MacMillan, A.M. | Deposit date: | 2013-03-09 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A conformational switch in PRP8 mediates metal ion coordination that promotes pre-mRNA exon ligation. Nat.Struct.Mol.Biol., 20, 2013
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3DNG
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![BU of 3dng by Molmil](/molmil-images/mine/3dng) | Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | Descriptor: | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide, CALCIUM ION, Neutrophil collagenase, ... | Authors: | Pochetti, G, Montanari, R, Mazza, F. | Deposit date: | 2008-07-02 | Release date: | 2009-03-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) J.Med.Chem., 52, 2009
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4TTH
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![BU of 4tth by Molmil](/molmil-images/mine/4tth) | Crystal structure of a CDK6/Vcyclin complex with inhibitor bound | Descriptor: | 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6 | Authors: | Piper, D.E, Walker, N, Wang, Z. | Deposit date: | 2014-06-20 | Release date: | 2014-08-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3. J.Med.Chem., 57, 2014
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8G1W
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![BU of 8g1w by Molmil](/molmil-images/mine/8g1w) | Crystal Structure Matriptase (C731S) in Complex with Inhibitor VD4162B | Descriptor: | CHLORIDE ION, Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(KCM), Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(THZ), ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Janetka, J.W. | Deposit date: | 2023-02-03 | Release date: | 2024-02-07 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Mechanism-Based Macrocyclic Inhibitors of Serine Proteases. J.Med.Chem., 67, 2024
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6NTY
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![BU of 6nty by Molmil](/molmil-images/mine/6nty) | 2.1 A resolution structure of the Musashi-2 (Msi2) RNA recognition motif 1 (RRM1) domain | Descriptor: | PHOSPHATE ION, RNA-binding protein Musashi homolog 2 | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Lan, L, Xiaoqing, W, Cooper, A, Gao, F.P, Xu, L. | Deposit date: | 2019-01-30 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal and solution structures of human oncoprotein Musashi-2 N-terminal RNA recognition motif 1. Proteins, 88, 2020
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2WAP
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![BU of 2wap by Molmil](/molmil-images/mine/2wap) | 3D-crystal structure of humanized-rat fatty acid amide hydrolase (FAAH) conjugated with the drug-like urea inhibitor PF-3845 | Descriptor: | 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid, CHLORIDE ION, FATTY-ACID AMIDE HYDROLASE 1, ... | Authors: | Mileni, M, Kamtekar, S, Stevens, R.C. | Deposit date: | 2009-02-11 | Release date: | 2009-05-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and Characterization of a Highly Selective Faah Inhibitor that Reduces Inflammatory Pain. Chem.Biol., 16, 2009
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6CEZ
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![BU of 6cez by Molmil](/molmil-images/mine/6cez) | Crystal Structure of Rabbit Anti-HIV-1 gp120 V2 Fab 16C2 in complex with V2 peptide ConB | Descriptor: | HIV-1 gp120 V2 Peptide Con B, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2, Light chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2 | Authors: | Kong, X, Pan, R. | Deposit date: | 2018-02-13 | Release date: | 2018-09-12 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Select gp120 V2 domain specific antibodies derived from HIV and SIV infection and vaccination inhibit gp120 binding to alpha 4 beta 7. PLoS Pathog., 14, 2018
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5FBM
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![BU of 5fbm by Molmil](/molmil-images/mine/5fbm) | Crystal Structure of Histone Like Protein (HLP) from Streptococcus mutans Refined to 1.9 A Resolution | Descriptor: | DNA-binding protein HU | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, O'Neil, P, Biswas, I. | Deposit date: | 2015-12-14 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of histone-like protein from Streptococcus mutans refined to 1.9 angstrom resolution. Acta Crystallogr F Struct Biol Commun, 72, 2016
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6C8U
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![BU of 6c8u by Molmil](/molmil-images/mine/6c8u) | Solution structure of Musashi2 RRM1 | Descriptor: | RNA-binding protein Musashi homolog 2 | Authors: | Xing, M, Lan, L, Douglas, J.T, Gao, P, Hanzlik, R.P, Xu, L. | Deposit date: | 2018-01-25 | Release date: | 2019-01-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Crystal and solution structures of human oncoprotein Musashi-2 N-terminal RNA recognition motif 1. Proteins, 2019
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