4NGY
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![BU of 4ngy by Molmil](/molmil-images/mine/4ngy) | Dialyzed HEW lysozyme batch crystallized in 0.75 M YbCl3 and collected at 100 K | Descriptor: | CHLORIDE ION, Lysozyme C, YTTERBIUM (III) ION | Authors: | Benas, P, Legrand, L, Ries-Kautt, M. | Deposit date: | 2013-11-03 | Release date: | 2014-05-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry. Acta Crystallogr.,Sect.D, 70, 2014
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3BKN
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![BU of 3bkn by Molmil](/molmil-images/mine/3bkn) | The structure of Mycobacterial bacterioferritin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bacterioferritin, MAGNESIUM ION, ... | Authors: | Janowski, R, Auerbach-Nevo, T, Weiss, M.S. | Deposit date: | 2007-12-07 | Release date: | 2008-01-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Bacterioferritin from Mycobacterium smegmatis contains zinc in its di-nuclear site. Protein Sci., 17, 2008
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3C22
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3DAD
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![BU of 3dad by Molmil](/molmil-images/mine/3dad) | Crystal structure of the N-terminal regulatory domains of the formin FHOD1 | Descriptor: | FH1/FH2 domain-containing protein 1 | Authors: | Schulte, A, Stolp, B, Schonichen, A, Pylypenko, O, Rak, A, Fackler, O.T, Geyer, M. | Deposit date: | 2008-05-29 | Release date: | 2008-09-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Human Formin FHOD1 Contains a Bipartite Structure of FH3 and GTPase-Binding Domains Required for Activation. Structure, 16, 2008
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1EVW
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![BU of 1evw by Molmil](/molmil-images/mine/1evw) | L116A MUTANT OF THE HOMING ENDONUCLEASE I-PPOI COMPLEXED TO HOMING SITE DNA. | Descriptor: | DNA (5'-D(*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*A)-3'), DNA (5'-D(*TP*GP*GP*CP*TP*AP*CP*CP*TP*TP*AP*A)-3'), DNA (5'-D(P*GP*AP*GP*AP*GP*TP*CP*A)-3'), ... | Authors: | Galburt, E.A, Jurica, M.S, Chevalier, B.S, Erho, D, Stoddard, B.L. | Deposit date: | 2000-04-20 | Release date: | 2000-08-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Conformational changes and cleavage by the homing endonuclease I-PpoI: a critical role for a leucine residue in the active site. J.Mol.Biol., 300, 2000
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3E2K
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![BU of 3e2k by Molmil](/molmil-images/mine/3e2k) | Crystal Structure of the KPC-2 Beta-lactamase/Beta-lactamase inhibitor protein (BLIP) | Descriptor: | Beta-lactamase inhibitory protein, Carbapenemase | Authors: | Hanes, M.S, Jude, K.M, Berger, J.M, Bonomo, R.A, Handel, T.M. | Deposit date: | 2008-08-05 | Release date: | 2009-08-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and biochemical characterization of the interaction between KPC-2 beta-lactamase and beta-lactamase inhibitor protein Biochemistry, 48, 2009
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3EL7
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![BU of 3el7 by Molmil](/molmil-images/mine/3el7) | Crystal structure of c-Src in complex with pyrazolopyrimidine 3 | Descriptor: | 1-{3-[(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src | Authors: | Dar, A.C, Lopez, M.S, Shokat, K.M. | Deposit date: | 2008-09-20 | Release date: | 2008-10-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Small molecule recognition of c-Src via the Imatinib-binding conformation. Chem.Biol., 15, 2008
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3EG6
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![BU of 3eg6 by Molmil](/molmil-images/mine/3eg6) | |
3ESQ
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4R20
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![BU of 4r20 by Molmil](/molmil-images/mine/4r20) | Zebra fish cytochrome P450 17A2 with Abiraterone | Descriptor: | Abiraterone, Cytochrome P450 family 17 polypeptide 2, MERCURY (II) ION, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2014-08-08 | Release date: | 2014-12-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structural and Kinetic Basis of Steroid 17 alpha, 20-Lyase Activity in Teleost Fish Cytochrome P450 17A1 and Its Absence in Cytochrome P450 17A2. J.Biol.Chem., 290, 2015
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3E2T
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![BU of 3e2t by Molmil](/molmil-images/mine/3e2t) | The catalytic domain of chicken tryptophan hydroxylase 1 with bound tryptophan | Descriptor: | FE (III) ION, IMIDAZOLE, SULFATE ION, ... | Authors: | Windahl, M.S, Petersen, C.R, Christensen, H.E.C, Harris, P. | Deposit date: | 2008-08-06 | Release date: | 2008-11-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of tryptophan hydroxylase with bound amino acid substrate Biochemistry, 47, 2008
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4R21
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![BU of 4r21 by Molmil](/molmil-images/mine/4r21) | Zebra fish cytochrome P450 17A2 with Progesterone | Descriptor: | Cytochrome P450 family 17 polypeptide 2, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2014-08-08 | Release date: | 2014-12-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Kinetic Basis of Steroid 17 alpha, 20-Lyase Activity in Teleost Fish Cytochrome P450 17A1 and Its Absence in Cytochrome P450 17A2. J.Biol.Chem., 290, 2015
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3DSR
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![BU of 3dsr by Molmil](/molmil-images/mine/3dsr) | ADP in transition binding site in the subunit B of the energy converter A1Ao ATP synthase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase beta chain | Authors: | Kumar, A, Manimekalai, S.M.S, Balakrishna, A.M, Gruber, G. | Deposit date: | 2008-07-14 | Release date: | 2009-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the nucleotide-binding subunit B of the energy producer A1A0 ATP synthase in complex with adenosine diphosphate Acta Crystallogr.,Sect.D, 64, 2008
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3E25
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![BU of 3e25 by Molmil](/molmil-images/mine/3e25) | Crystal structure of M. tuberculosis glucosyl-3-phosphoglycerate synthase | Descriptor: | 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, Putative uncharacterized protein, ... | Authors: | Pereira, P.J.B, Empadinhas, N, Costa, M.S, Macedo-Ribeiro, S. | Deposit date: | 2008-08-05 | Release date: | 2008-12-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mycobacterium tuberculosis glucosyl-3-phosphoglycerate synthase: structure of a key enzyme in methylglucose lipopolysaccharide biosynthesis Plos One, 3, 2008
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3ESR
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![BU of 3esr by Molmil](/molmil-images/mine/3esr) | Crystal Structure of D,D-heptose1.7-bisphosphate phosphatase from E. coli in complex with calcium and phosphate | Descriptor: | CALCIUM ION, D,D-heptose 1,7-bisphosphate phosphatase, PHOSPHATE ION, ... | Authors: | Sugiman-Marangos, S.N, Junop, M.S. | Deposit date: | 2008-10-06 | Release date: | 2008-10-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli. To be Published
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1LK9
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![BU of 1lk9 by Molmil](/molmil-images/mine/1lk9) | The Three-dimensional Structure of Alliinase from Garlic | Descriptor: | 2-AMINO-ACRYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Kuettner, E.B, Hilgenfeld, R, Weiss, M.S. | Deposit date: | 2002-04-24 | Release date: | 2002-12-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | The active principle of garlic at atomic resolution J.Biol.Chem., 277, 2002
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1PI3
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![BU of 1pi3 by Molmil](/molmil-images/mine/1pi3) | E28Q mutant Benzoylformate Decarboxylase From Pseudomonas Putida | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | Authors: | Bera, A.K, Hasson, M.S. | Deposit date: | 2003-05-29 | Release date: | 2004-11-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High resolution structure of Benzoylformate Decarboxylate E28Q mutant To be Published
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6MDD
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6M8Q
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![BU of 6m8q by Molmil](/molmil-images/mine/6m8q) | Cleavage and Polyadenylation Specificity Factor Subunit 3 (CPSF3) in complex with NVP-LTM531 | Descriptor: | Cleavage and polyadenylation specificity factor subunit 3, N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine, PHOSPHATE ION, ... | Authors: | Weihofen, W.A, Salcius, M, Michaud, G. | Deposit date: | 2018-08-22 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | CPSF3-dependent pre-mRNA processing as a druggable node in AML and Ewing's sarcoma. Nat.Chem.Biol., 16, 2020
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6MDB
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![BU of 6mdb by Molmil](/molmil-images/mine/6mdb) | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 5 | Descriptor: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Fodor, M, Stams, T. | Deposit date: | 2018-09-04 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | 6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors. J. Med. Chem., 62, 2019
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6MDC
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![BU of 6mdc by Molmil](/molmil-images/mine/6mdc) | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389 | Descriptor: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Fodor, M, Stams, T. | Deposit date: | 2018-09-04 | Release date: | 2019-02-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors. J. Med. Chem., 62, 2019
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2B36
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![BU of 2b36 by Molmil](/molmil-images/mine/2b36) | Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by 5-pentyl-2-phenoxyphenol | Descriptor: | 5-PENTYL-2-PHENOXYPHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | Deposit date: | 2005-09-19 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis ACS Chem.Biol., 1, 2006
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7BZ6
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![BU of 7bz6 by Molmil](/molmil-images/mine/7bz6) | Mycobacterium bovis AhpC | Descriptor: | Alkyl hydroperoxide reductase C peptide | Authors: | Chong, S.M.S, Neelagandan, K, Gruber, G. | Deposit date: | 2020-04-27 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.302 Å) | Cite: | Residues of helix alpha2 are critical for catalytic efficiency of mycobacterial alkylhydroperoxide reductase subunit C. Febs Lett., 594, 2020
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6HG8
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![BU of 6hg8 by Molmil](/molmil-images/mine/6hg8) | Crystal structure of the R460G disease-causing mutant of the human dihydrolipoamide dehydrogenase. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ... | Authors: | Ambrus, A, Szabo, E, Weichsel, A, Bui, D, Wilk, P, Torocsik, B, Weiss, M.S, Montfort, W.R, Jordan, F, Adam-Vizi, V. | Deposit date: | 2018-08-22 | Release date: | 2019-09-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of the R460G disease-causing mutant of the human dihydrolipoamide dehydrogenase. To Be Published
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1PO7
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![BU of 1po7 by Molmil](/molmil-images/mine/1po7) | |