1YGC
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![BU of 1ygc by Molmil](/molmil-images/mine/1ygc) | Short Factor VIIa with a small molecule inhibitor | Descriptor: | (R)-4-[2-(3-AMINO-BENZENESULFONYLAMINO)-1-(3,5-DIETHOXY-2-FLUOROPHENYL)-2-OXO-ETHYLAMINO]-2-HYDROXY-BENZAMIDINE, CALCIUM ION, Coagulation factor VII, ... | Authors: | Olivero, A.G, Eigenbrot, C, Goldsmith, R, Robarge, K, Artis, D.R, Flygare, J, Rawson, T, Refino, C, Bunting, S, Kirchhofer, D. | Deposit date: | 2005-01-04 | Release date: | 2005-01-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo. J.Biol.Chem., 280, 2005
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4Z5D
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![BU of 4z5d by Molmil](/molmil-images/mine/4z5d) | HipB-O4 21mer complex | Descriptor: | Antitoxin HipB, DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*CP*CP*GP*CP*GP*AP*TP*CP*GP*CP*GP*GP*AP*TP*AP*A)-3') | Authors: | Min, J, Brennan, R.G, Schumacher, M.A. | Deposit date: | 2015-04-02 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular mechanism on hipBA gene regulation. To be published
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1YHS
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![BU of 1yhs by Molmil](/molmil-images/mine/1yhs) | Crystal structure of Pim-1 bound to staurosporine | Descriptor: | Proto-oncogene serine/threonine-protein kinase Pim-1, STAUROSPORINE | Authors: | Jacobs, M.D, Black, J, Futer, O, Swenson, L, Hare, B, Fleming, M, Saxena, K. | Deposit date: | 2005-01-10 | Release date: | 2005-01-25 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002. J.Biol.Chem., 280, 2005
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4Z7A
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![BU of 4z7a by Molmil](/molmil-images/mine/4z7a) | Structural and biochemical characterization of a non-functionally redundant M. tuberculosis (3,3) L,D-Transpeptidase, LdtMt5. | Descriptor: | ACETYL GROUP, DI(HYDROXYETHYL)ETHER, Mycobacterium tuberculosis (3,3)L,D-Transpeptidase type 5, ... | Authors: | Basta, L, Ghosh, A, Pan, Y, Jakoncic, J, Lloyd, E, Townsend, G, Lamichhane, G, Bianchet, M.A. | Deposit date: | 2015-04-06 | Release date: | 2015-09-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Loss of a Functionally and Structurally Distinct ld-Transpeptidase, LdtMt5, Compromises Cell Wall Integrity in Mycobacterium tuberculosis. J.Biol.Chem., 290, 2015
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4ZQD
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![BU of 4zqd by Molmil](/molmil-images/mine/4zqd) | Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex with the Benzoxadiazole Antagonist 0X3 | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine | Authors: | Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F. | Deposit date: | 2015-05-09 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structural integration in hypoxia-inducible factors. Nature, 524, 2015
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8EMG
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![BU of 8emg by Molmil](/molmil-images/mine/8emg) | |
4IGD
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![BU of 4igd by Molmil](/molmil-images/mine/4igd) | Crystal structure of the zymogen catalytic region of Human MASP-1 | Descriptor: | GLYCEROL, Mannan-binding lectin serine protease 1 | Authors: | Harmat, V, Megyeri, M, Vegh, A, Dobo, J. | Deposit date: | 2012-12-17 | Release date: | 2013-02-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Quantitative characterization of the activation steps of mannan-binding lectin (MBL)-associated serine proteases (MASPs) points to the central role of MASP-1 in the initiation of the complement lectin pathway J.Biol.Chem., 288, 2013
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8EMF
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![BU of 8emf by Molmil](/molmil-images/mine/8emf) | |
8EO8
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![BU of 8eo8 by Molmil](/molmil-images/mine/8eo8) | |
8EN8
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![BU of 8en8 by Molmil](/molmil-images/mine/8en8) | |
8ENH
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![BU of 8enh by Molmil](/molmil-images/mine/8enh) | |
8EMK
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![BU of 8emk by Molmil](/molmil-images/mine/8emk) | |
8EMJ
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![BU of 8emj by Molmil](/molmil-images/mine/8emj) | |
4Z96
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![BU of 4z96 by Molmil](/molmil-images/mine/4z96) | Crystal structure of DNMT1 in complex with USP7 | Descriptor: | DNA (cytosine-5)-methyltransferase 1, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Zhang, Z.M, Song, J. | Deposit date: | 2015-04-09 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of DNMT1 in complex with USP7 To Be Published
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8EMI
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![BU of 8emi by Molmil](/molmil-images/mine/8emi) | |
4JWL
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![BU of 4jwl by Molmil](/molmil-images/mine/4jwl) | |
4FFH
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![BU of 4ffh by Molmil](/molmil-images/mine/4ffh) | |
8F6S
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![BU of 8f6s by Molmil](/molmil-images/mine/8f6s) | LSD1-CoREST in complex with T105 | Descriptor: | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-17 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8F30
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![BU of 8f30 by Molmil](/molmil-images/mine/8f30) | LSD1-CoREST in complex with AW2, long soaking | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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4XBX
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![BU of 4xbx by Molmil](/molmil-images/mine/4xbx) | Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH | Descriptor: | Limonene-1,2-epoxide hydrolase | Authors: | Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J. | Deposit date: | 2014-12-17 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution Angew.Chem.Int.Ed.Engl., 54, 2015
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1Y0V
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![BU of 1y0v by Molmil](/molmil-images/mine/1y0v) | Crystal structure of anthrax edema factor (EF) in complex with calmodulin and pyrophosphate | Descriptor: | CALCIUM ION, Calmodulin, Calmodulin-sensitive adenylate cyclase, ... | Authors: | Shen, Y, Zhukovskaya, N.L, Guo, Q, Florian, J, Tang, W.-J. | Deposit date: | 2004-11-16 | Release date: | 2005-05-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Calcium-independent calmodulin binding and two-metal-ion catalytic mechanism of anthrax edema factor Embo J., 24, 2005
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8F59
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![BU of 8f59 by Molmil](/molmil-images/mine/8f59) | LSD1-CoREST in complex with AW2 and SNAG peptide | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-12 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8F2Z
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![BU of 8f2z by Molmil](/molmil-images/mine/8f2z) | LSD1-CoREST in complex with AW2, short soaking | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | Authors: | Caroli, J, Mattevi, A. | Deposit date: | 2022-11-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
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8FQL
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![BU of 8fql by Molmil](/molmil-images/mine/8fql) | Portal vertex of HK97 phage | Descriptor: | Portal protein | Authors: | Huet, A, Oh, B, Maurer, J, Duda, R.L, Conway, J.F. | Deposit date: | 2023-01-06 | Release date: | 2023-06-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A symmetry mismatch unraveled: How phage HK97 scaffold flexibly accommodates a 12-fold pore at a 5-fold viral capsid vertex. Sci Adv, 9, 2023
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242L
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![BU of 242l by Molmil](/molmil-images/mine/242l) | THE RESPONSE OF T4 LYSOZYME TO LARGE-TO-SMALL SUBSTITUTIONS WITHIN THE CORE AND ITS RELATION TO THE HYDROPHOBIC EFFECT | Descriptor: | 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, T4 LYSOZYME | Authors: | Xu, J, Baase, W.A, Baldwin, E, Matthews, B.W. | Deposit date: | 1997-10-23 | Release date: | 1998-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The response of T4 lysozyme to large-to-small substitutions within the core and its relation to the hydrophobic effect. Protein Sci., 7, 1998
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