5JPX
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6VRG
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![BU of 6vrg by Molmil](/molmil-images/mine/6vrg) | Structure of HIV-1 integrase with native amino-terminal sequence | Descriptor: | Integrase, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Eilers, G, Gupta, K, Allen, A, Zhou, J, Hwang, Y, Cory, M, Bushman, F.D, Van Duyne, G.D. | Deposit date: | 2020-02-07 | Release date: | 2020-09-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Influence of the amino-terminal sequence on the structure and function of HIV integrase. Retrovirology, 17, 2020
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1NYW
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![BU of 1nyw by Molmil](/molmil-images/mine/1nyw) | The high resolution structures of RmlC from Streptoccus suis in complex with dTDP-D-glucose | Descriptor: | 2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE, dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase | Authors: | Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H. | Deposit date: | 2003-02-14 | Release date: | 2003-06-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme Structure, 11, 2003
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1NZC
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![BU of 1nzc by Molmil](/molmil-images/mine/1nzc) | The high resolution structures of RmlC from Streptococcus suis in complex with dTDP-D-xylose | Descriptor: | NICKEL (II) ION, THYMIDINE-5'-DIPHOSPHO-BETA-D-XYLOSE, dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase | Authors: | Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H. | Deposit date: | 2003-02-17 | Release date: | 2003-06-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme Structure, 11, 2003
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1NXM
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![BU of 1nxm by Molmil](/molmil-images/mine/1nxm) | The high resolution structures of RmlC from Streptococcus suis | Descriptor: | dTDP-6-deoxy-D-xylo-4-hexulose 3,5-epimerase | Authors: | Dong, C, Major, L.L, Allen, A, Blankenfeldt, W, Maskell, D, Naismith, J.H. | Deposit date: | 2003-02-11 | Release date: | 2003-06-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme Structure, 11, 2003
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4GVB
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8CT5
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8CTA
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![BU of 8cta by Molmil](/molmil-images/mine/8cta) | Minimal 2:2 Ternary Complex between BI-224436 bound HIV-1 Integrase Catalytic Core Domain Dimer and Carboxy Terminal Domains | Descriptor: | (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase | Authors: | Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D. | Deposit date: | 2022-05-13 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization. Plos Pathog., 19, 2023
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8CT7
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![BU of 8ct7 by Molmil](/molmil-images/mine/8ct7) | Catalytic Core Domain of HIV-1 Integrase (F185K) bound with BI-224436 | Descriptor: | (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid, 1,2-ETHANEDIOL, Integrase, ... | Authors: | Gupta, K, Van Duyne, G.D, Eilers, G, Bushman, F.D. | Deposit date: | 2022-05-13 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structure of a HIV-1 IN-Allosteric inhibitor complex at 2.93 angstrom resolution: Routes to inhibitor optimization. Plos Pathog., 19, 2023
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6H1E
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![BU of 6h1e by Molmil](/molmil-images/mine/6h1e) | Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide | Descriptor: | HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ... | Authors: | Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R. | Deposit date: | 2018-07-11 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells. Nat.Struct.Mol.Biol., 26, 2019
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6H1D
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![BU of 6h1d by Molmil](/molmil-images/mine/6h1d) | Crystal structure of C21orf127-TRMT112 in complex with SAH | Descriptor: | HemK methyltransferase family member 2, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R. | Deposit date: | 2018-07-11 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells. Nat.Struct.Mol.Biol., 26, 2019
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6E1J
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6G9P
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![BU of 6g9p by Molmil](/molmil-images/mine/6g9p) | Structural basis for the inhibition of E. coli PBP2 | Descriptor: | Peptidoglycan D,D-transpeptidase MrdA | Authors: | Ruff, M, Levy, N. | Deposit date: | 2018-04-11 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design. J.Med.Chem., 62, 2019
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7KQV
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7KRG
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7PUK
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![BU of 7puk by Molmil](/molmil-images/mine/7puk) | Crystal structure of Endoglycosidase E GH18 domain from Enterococcus faecalis in complex with Man5 product | Descriptor: | Beta-N-acetylhexosaminidase, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Garcia-Alija, M, Du, J.J, Trastoy, B, Sundberg, E.J, Guerin, M. | Deposit date: | 2021-09-30 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE. Nat Commun, 13, 2022
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7PUJ
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![BU of 7puj by Molmil](/molmil-images/mine/7puj) | Crystal structure of Endoglycosidase E GH18 domain from Enterococcus faecalis | Descriptor: | Beta-N-acetylhexosaminidase, CHLORIDE ION, ZINC ION | Authors: | Garcia-Alija, M, Du, J.J, Trastoy, B, Sundberg, E.J, Guerin, M.E. | Deposit date: | 2021-09-30 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE. Nat Commun, 13, 2022
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7PUL
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![BU of 7pul by Molmil](/molmil-images/mine/7pul) | Crystal structure of Endoglycosidase E GH20 domain from Enterococcus faecalis | Descriptor: | Beta-N-acetylhexosaminidase, CALCIUM ION, GLY-ALA-GLY-ALA-ALA, ... | Authors: | Garcia-Alija, M, Du, J.J, Trastoy, B, Sundberg, E.J, Guerin, M. | Deposit date: | 2021-09-30 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mechanism of cooperative N-glycan processing by the multi-modular endoglycosidase EndoE. Nat Commun, 13, 2022
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6O8I
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![BU of 6o8i by Molmil](/molmil-images/mine/6o8i) | BTK In Complex With Inhibitor | Descriptor: | 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK | Authors: | Pokross, M, Tebben, A.J, Watterson, S.H. | Deposit date: | 2019-03-11 | Release date: | 2019-04-03 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK). J. Med. Chem., 62, 2019
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6AZW
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![BU of 6azw by Molmil](/molmil-images/mine/6azw) | IDO1/FXB-001116 crystal structure | Descriptor: | (2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lewis, H.A, Lammens, A, Steinbacher, S. | Deposit date: | 2017-09-13 | Release date: | 2018-03-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6AZV
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![BU of 6azv by Molmil](/molmil-images/mine/6azv) | IDO1/BMS-978587 crystal structure | Descriptor: | (1R,2S)-2-(4-[bis(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, Indoleamine 2,3-dioxygenase 1 | Authors: | Lewis, H.A. | Deposit date: | 2017-09-13 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.755 Å) | Cite: | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6AZU
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![BU of 6azu by Molmil](/molmil-images/mine/6azu) | Holo IDO1 crystal structure | Descriptor: | Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Lewis, H.A, Yan, C. | Deposit date: | 2017-09-13 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.822 Å) | Cite: | Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6E24
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![BU of 6e24 by Molmil](/molmil-images/mine/6e24) | Ternary structure of c-Myc-TBP-TAF1 | Descriptor: | Transcription initiation factor TFIID subunit 1,Myc proto-oncogene protein,TATA-box-binding protein | Authors: | Wei, Y, Dong, A, Sunnerhagen, M, Penn, L, Tong, Y, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-07-10 | Release date: | 2019-10-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.001 Å) | Cite: | Multiple direct interactions of TBP with the MYC oncoprotein. Nat.Struct.Mol.Biol., 26, 2019
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6E16
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![BU of 6e16 by Molmil](/molmil-images/mine/6e16) | Ternary structure of c-Myc-TBP-TAF1 | Descriptor: | Transcription initiation factor TFIID subunit 1,Myc proto-oncogene protein,TATA-box-binding protein | Authors: | Wei, Y, Dong, A, Sunnerhagen, M, Penn, L, Tong, Y, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2018-07-09 | Release date: | 2019-10-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Multiple direct interactions of TBP with the MYC oncoprotein. Nat.Struct.Mol.Biol., 26, 2019
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2X8D
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![BU of 2x8d by Molmil](/molmil-images/mine/2x8d) | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | Descriptor: | 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | Deposit date: | 2010-03-08 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration. Bioorg.Med.Chem., 20, 2010
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