3H4V
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![BU of 3h4v by Molmil](/molmil-images/mine/3h4v) | Selective screening and design to identify inhibitors of leishmania major pteridine reductase 1 | Descriptor: | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1 | Authors: | Mcluskey, K, Gibellini, F, Hunter, W.N. | Deposit date: | 2009-04-21 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development Proc.Natl.Acad.Sci.USA, 105, 2008
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3SRS
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![BU of 3srs by Molmil](/molmil-images/mine/3srs) | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | Descriptor: | 7-(5-bromo-2-ethoxyphenyl)-6-methylquinazoline-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hilgers, M. | Deposit date: | 2011-07-07 | Release date: | 2011-08-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
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3H72
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![BU of 3h72 by Molmil](/molmil-images/mine/3h72) | |
3H93
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![BU of 3h93 by Molmil](/molmil-images/mine/3h93) | Crystal Structure of Pseudomonas aeruginosa DsbA | Descriptor: | GLYCEROL, Thiol:disulfide interchange protein dsbA | Authors: | Shouldice, S.R. | Deposit date: | 2009-04-29 | Release date: | 2009-12-08 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Characterization of the DsbA Oxidative Folding Catalyst from Pseudomonas aeruginosa Reveals a Highly Oxidizing Protein that Binds Small Molecules. Antioxid Redox Signal, 12, 2010
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6J73
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![BU of 6j73 by Molmil](/molmil-images/mine/6j73) | Crystal structure of IniA from Mycobacterium smegmatis | Descriptor: | Isoniazid inducible gene protein IniA | Authors: | Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H. | Deposit date: | 2019-01-16 | Release date: | 2019-09-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.211 Å) | Cite: | Mycobacterial dynamin-like protein IniA mediates membrane fission. Nat Commun, 10, 2019
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3ET3
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![BU of 3et3 by Molmil](/molmil-images/mine/3et3) | |
6JB3
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![BU of 6jb3 by Molmil](/molmil-images/mine/6jb3) | Structure of SUR1 subunit bound with repaglinide | Descriptor: | ATP-binding cassette sub-family C member 8 isoform X2, Digitonin, Repaglinide | Authors: | Chen, L, Ding, D, Wang, M, Wu, J.-X, Kang, Y. | Deposit date: | 2019-01-25 | Release date: | 2019-05-22 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | The Structural Basis for the Binding of Repaglinide to the Pancreatic KATPChannel. Cell Rep, 27, 2019
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3SRU
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![BU of 3sru by Molmil](/molmil-images/mine/3sru) | S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines | Descriptor: | Dihydrofolate reductase, N-[3'-(2,4-diaminoquinazolin-7-yl)-4'-ethoxybiphenyl-3-yl]methanesulfonamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Hilgers, M. | Deposit date: | 2011-07-07 | Release date: | 2011-08-31 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. Bioorg.Med.Chem.Lett., 21, 2011
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3SV1
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![BU of 3sv1 by Molmil](/molmil-images/mine/3sv1) | Crystal structure of APP peptide bound rat Mint2 PARM | Descriptor: | Amyloid beta A4 precursor protein-binding family A member 2, Amyloid beta A4 protein | Authors: | Shen, Y, Long, J, Yan, X, Xie, X. | Deposit date: | 2011-07-12 | Release date: | 2012-07-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Open-closed motion of Mint2 regulates APP metabolism J Mol Cell Biol, 5, 2013
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2X89
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![BU of 2x89 by Molmil](/molmil-images/mine/2x89) | Structure of the Beta2_microglobulin involved in amyloidogenesis | Descriptor: | ANTIBODY, BETA-2-MICROGLOBULIN | Authors: | Domanska, K, Srinivasan, V, Vanderhaegen, S, Pardon, E, Marquez, J.A, Bellotti, V, Wyns, L, Steyaert, J. | Deposit date: | 2010-03-07 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Atomic Structure of a Nanobody-Trapped Domain-Swapped Dimer of an Amyloidogenic {Beta}2-Microglobulin Variant. Proc.Natl.Acad.Sci.USA, 108, 2011
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3SWS
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![BU of 3sws by Molmil](/molmil-images/mine/3sws) | |
2X2L
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![BU of 2x2l by Molmil](/molmil-images/mine/2x2l) | Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor | Descriptor: | (3Z)-5-AMINO-3-[(4-METHOXYPHENYL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | Authors: | Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q. | Deposit date: | 2010-01-13 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors. Bioorg. Med. Chem., 18, 2010
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2X22
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![BU of 2x22 by Molmil](/molmil-images/mine/2x22) | crystal structure of M. tuberculosis InhA inhibited by PT70 | Descriptor: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, DIMETHYL SULFOXIDE, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], ... | Authors: | Luckner, S.R, Liu, N, am Ende, C.W, Tonge, P.J, Kisker, C. | Deposit date: | 2010-01-10 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Slow, Tight Binding Inhibitor of Inha, the Enoyl-Acyl Carrier Protein Reductase from Mycobacterium Tuberculosis. J.Biol.Chem., 285, 2010
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6JP8
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![BU of 6jp8 by Molmil](/molmil-images/mine/6jp8) | Rabbit Cav1.1-Bay K8644 Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, Y, Huang, G, Wu, J, Yan, N. | Deposit date: | 2019-03-26 | Release date: | 2019-06-12 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Molecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca2+Channel. Cell, 177, 2019
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3T2N
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![BU of 3t2n by Molmil](/molmil-images/mine/3t2n) | Human hepsin protease in complex with the Fab fragment of an inhibitory antibody | Descriptor: | Antibody, Fab fragment, Heavy Chain, ... | Authors: | Koschubs, T, Dengl, S, Duerr, H, Kaluza, K, Georges, G, Hartl, C, Jennewein, S, Lanzendoerfer, M, Auer, J, Stern, A, Huang, K.-S, Kostrewa, D, Ries, S, Hansen, S, Kohnert, U, Cramer, P, Mundigl, O. | Deposit date: | 2011-07-22 | Release date: | 2011-12-28 | Last modified: | 2012-07-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Allosteric antibody inhibition of human hepsin protease. Biochem.J., 442, 2012
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2Y2K
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![BU of 2y2k by Molmil](/molmil-images/mine/2y2k) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (ZA5) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol, 6, 2011
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3EWC
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![BU of 3ewc by Molmil](/molmil-images/mine/3ewc) | Crystal Structure of adenosine deaminase from Plasmodial vivax in complex with MT-coformycin | Descriptor: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Adenosine deaminase, ZINC ION | Authors: | Schramm, V.L, Almo, S.C, Cassera, M.B, Ho, M.C. | Deposit date: | 2008-10-14 | Release date: | 2009-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural and metabolic specificity of methylthiocoformycin for malarial adenosine deaminases. Biochemistry, 48, 2009
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2Y2P
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![BU of 2y2p by Molmil](/molmil-images/mine/2y2p) | Penicillin-binding protein 1b (pbp-1b) in complex with an alkyl boronate (z10) | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol., 6, 2011
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6K12
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![BU of 6k12 by Molmil](/molmil-images/mine/6k12) | Babesia microti lactate dehydrogenase apo form (BmLDH) | Descriptor: | L-lactate dehydrogenase | Authors: | Long, Y. | Deposit date: | 2019-05-09 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis. Faseb J., 33, 2019
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2XXN
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![BU of 2xxn by Molmil](/molmil-images/mine/2xxn) | Structure of the vIRF4-HAUSP TRAF domain complex | Descriptor: | K10, UBIQUITIN CARBOXYL-TERMINAL HYDROLASE 7 | Authors: | Choi, W.C, Hwang, J, Kim, M.H. | Deposit date: | 2010-11-11 | Release date: | 2011-11-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Bilateral Inhibition of Hausp Deubiquitinase by a Viral Interferon Regulatory Factor Protein Nat.Struct.Mol.Biol., 18, 2011
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2Y01
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![BU of 2y01 by Molmil](/molmil-images/mine/2y01) | TURKEY BETA1 ADRENERGIC RECEPTOR WITH STABILISING MUTATIONS AND BOUND PARTIAL AGONIST DOBUTAMINE (CRYSTAL DOB102) | Descriptor: | BETA-1 ADRENERGIC RECEPTOR, CHOLESTEROL HEMISUCCINATE, DOBUTAMINE, ... | Authors: | Warne, A, Moukhametzianov, R, Baker, J.G, Nehme, R, Edwards, P.C, Leslie, A.G.W, Schertler, G.F.X, Tate, C.G. | Deposit date: | 2010-11-30 | Release date: | 2011-03-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The Structural Basis for Agonist and Partial Agonist Action on a Beta1-Adrenergic Receptor Nature, 469, 2011
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2Y2L
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![BU of 2y2l by Molmil](/molmil-images/mine/2y2l) | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH AN ALKYL BORONATE (E06) | Descriptor: | CHLORIDE ION, PENICILLIN-BINDING PROTEIN 1B, SODIUM ION, ... | Authors: | Contreras-Martel, C, Amoroso, A, Woon, E.C, Zervosen, A, Inglis, S, Martins, A, Verlaine, O, Rydzik, A, Job, V, Luxen, A, Joris, B, Schofield, C.J, Dessen, A. | Deposit date: | 2010-12-15 | Release date: | 2011-08-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Guided Design of Cell Wall Biosynthesis Inhibitors that Overcome Beta-Lactam Resistance in Staphylococcus Aureus (Mrsa). Acs Chem.Biol., 6, 2011
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3SU6
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![BU of 3su6 by Molmil](/molmil-images/mine/3su6) | Crystal structure of NS3/4A protease variant A156T in complex with vaniprevir | Descriptor: | (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, GLYCEROL, NS3 protease, ... | Authors: | Schiffer, C.A, Romano, K.P. | Deposit date: | 2011-07-11 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors. Plos Pathog., 8, 2012
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3F81
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![BU of 3f81 by Molmil](/molmil-images/mine/3f81) | Interaction of VHR with SA3 | Descriptor: | 2-[(5~{E})-5-[[3-[4-(2-fluoranylphenoxy)phenyl]-1-phenyl-pyrazol-4-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, Dual specificity protein phosphatase 3 | Authors: | Wu, S, Mutelin, T, Tautz, L. | Deposit date: | 2008-11-11 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Multidentate small-molecule inhibitors of vaccinia H1-related (VHR) phosphatase decrease proliferation of cervix cancer cells. J.Med.Chem., 52, 2009
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3SUZ
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![BU of 3suz by Molmil](/molmil-images/mine/3suz) | Crystal structure of Rat Mint2 PPC | Descriptor: | Amyloid beta A4 precursor protein-binding family A member 2 | Authors: | Shen, Y, Long, J, Yan, X, Xie, X. | Deposit date: | 2011-07-11 | Release date: | 2012-07-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Open-closed motion of Mint2 regulates APP metabolism J Mol Cell Biol, 5, 2013
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