7YBF
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1J15
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![BU of 1j15 by Molmil](/molmil-images/mine/1j15) | BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Stubbs, M.T. | Deposit date: | 2002-11-30 | Release date: | 2002-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity J.MOL.BIOL., 325, 2003
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6RNE
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![BU of 6rne by Molmil](/molmil-images/mine/6rne) | DPP1 in complex with inhibitor | Descriptor: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kack, H. | Deposit date: | 2019-05-08 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines. Acs Med.Chem.Lett., 10, 2019
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1J16
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![BU of 1j16 by Molmil](/molmil-images/mine/1j16) | BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Stubbs, M.T. | Deposit date: | 2002-11-30 | Release date: | 2002-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity J.MOL.BIOL., 325, 2003
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6RN9
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![BU of 6rn9 by Molmil](/molmil-images/mine/6rn9) | DPP1 in complex with inhibitor | Descriptor: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kack, H. | Deposit date: | 2019-05-08 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines. Acs Med.Chem.Lett., 10, 2019
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6RNI
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![BU of 6rni by Molmil](/molmil-images/mine/6rni) | DPP1 in complex with inhibitor | Descriptor: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kack, H. | Deposit date: | 2019-05-08 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines. Acs Med.Chem.Lett., 10, 2019
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1J14
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![BU of 1j14 by Molmil](/molmil-images/mine/1j14) | BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | Authors: | Stubbs, M.T. | Deposit date: | 2002-11-30 | Release date: | 2002-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity J.MOL.BIOL., 325, 2003
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7SV8
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7SUW
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7SV1
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7SUY
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5KTU
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![BU of 5ktu by Molmil](/molmil-images/mine/5ktu) | Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold | Descriptor: | 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | Deposit date: | 2016-07-12 | Release date: | 2016-11-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300. J. Med. Chem., 59, 2016
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7QQB
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![BU of 7qqb by Molmil](/molmil-images/mine/7qqb) | Crystal structure of the envelope glycoprotein complex of Puumala virus in complex with the scFv fragment of the broadly neutralizing human antibody ADI-42898 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, GLYCEROL, ... | Authors: | Serris, A, Rey, F.A, Guardado-Calvo, P. | Deposit date: | 2022-01-07 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and mechanistic basis of neutralization by a pan-hantavirus protective antibody. Sci Transl Med, 15, 2023
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5JM4
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![BU of 5jm4 by Molmil](/molmil-images/mine/5jm4) | Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain | Descriptor: | 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU | Authors: | Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T. | Deposit date: | 2016-04-28 | Release date: | 2017-05-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions. J. Med. Chem., 60, 2017
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5K1I
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![BU of 5k1i by Molmil](/molmil-images/mine/5k1i) | PDE4 crystal structure in complex with small molecule inhibitor | Descriptor: | 4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid, MAGNESIUM ION, ZINC ION, ... | Authors: | Segarra, V, Hernandez, B, Ferrer-Miralles, N, Korndoerfer, I, Aymami, J. | Deposit date: | 2016-05-18 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships. J. Med. Chem., 59, 2016
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1J17
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4W2R
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![BU of 4w2r by Molmil](/molmil-images/mine/4w2r) | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | Deposit date: | 2017-09-25 | Release date: | 2017-12-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497). J. Med. Chem., 61, 2018
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4V29
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6HKR
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![BU of 6hkr by Molmil](/molmil-images/mine/6hkr) | Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC271. | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2, ... | Authors: | Tomlinson, C, Chisholm, D, Whiting, A, Pohl, E. | Deposit date: | 2018-09-07 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Novel Fluorescence Competition Assay for Retinoic Acid Binding Proteins. ACS Med Chem Lett, 9, 2018
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4OZN
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![BU of 4ozn by Molmil](/molmil-images/mine/4ozn) | GlnK2 from Haloferax mediterranei complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II, SULFATE ION | Authors: | Palanca, C, Pedro-Roig, L, Llacer, J.L, Camacho, M, Bonete, M.J, Rubio, V. | Deposit date: | 2014-02-17 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The structure of a PII signaling protein from a halophilic archaeon reveals novel traits and high-salt adaptations. Febs J., 281, 2014
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4OZJ
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![BU of 4ozj by Molmil](/molmil-images/mine/4ozj) | GlnK2 from Haloferax mediterranei complexed with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nitrogen regulatory protein P-II | Authors: | Palanca, C, Pedro-Roig, L, Llacer, J.L, Camacho, M, Bonete, M.J, Rubio, V. | Deposit date: | 2014-02-17 | Release date: | 2014-07-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The structure of a PII signaling protein from a halophilic archaeon reveals novel traits and high-salt adaptations. Febs J., 281, 2014
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8F1S
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![BU of 8f1s by Molmil](/molmil-images/mine/8f1s) | A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in A-orientation | Descriptor: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*TP*GP*CP*G)-3'), ... | Authors: | Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-11-06 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
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8F2W
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![BU of 8f2w by Molmil](/molmil-images/mine/8f2w) | Structure of a B-Form Dodecamer: 5'-CGCGAATTCGCG-3 | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-11-08 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
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8F1V
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![BU of 8f1v by Molmil](/molmil-images/mine/8f1v) | A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in B-orientation | Descriptor: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*TP*GP*CP*G)-3'), ... | Authors: | Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-11-06 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
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8F2Y
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