1A4M
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![BU of 1a4m by Molmil](/molmil-images/mine/1a4m) | ADA STRUCTURE COMPLEXED WITH PURINE RIBOSIDE AT PH 7.0 | Descriptor: | 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE, ADENOSINE DEAMINASE, ZINC ION | Authors: | Wang, Z, Quiocho, F.A. | Deposit date: | 1998-01-31 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Complexes of adenosine deaminase with two potent inhibitors: X-ray structures in four independent molecules at pH of maximum activity. Biochemistry, 37, 1998
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3WKN
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![BU of 3wkn by Molmil](/molmil-images/mine/3wkn) | Crystal structure of the artificial protein AFFinger p17 (AF.p17) complexed with Fc fragment of human IgG | Descriptor: | AFFinger p17, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Watanabe, H, Honda, S. | Deposit date: | 2013-10-29 | Release date: | 2014-10-29 | Last modified: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Adaptive Assembly: Maximizing the Potential of a Given Functional Peptide with a Tailor-Made Protein Scaffold. Chem.Biol., 22, 2015
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4IXC
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![BU of 4ixc by Molmil](/molmil-images/mine/4ixc) | |
3G5O
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![BU of 3g5o by Molmil](/molmil-images/mine/3g5o) | The crystal structure of the toxin-antitoxin complex RelBE2 (Rv2865-2866) from Mycobacterium tuberculosis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC), Integrated Center for Structure and Function Innovation (ISFI) | Deposit date: | 2009-02-05 | Release date: | 2009-04-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes. Structure, 21, 2013
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8G1R
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![BU of 8g1r by Molmil](/molmil-images/mine/8g1r) | A Vibrio cholerae viral satellite enables efficient horizontal transfer by using an external scaffold to assemble hijacked coat proteins into small capsids | Descriptor: | Serine protease, major head protein | Authors: | Subramanian, S, Boyd, C.M, Seed, K.D, Parent, K.N. | Deposit date: | 2023-02-02 | Release date: | 2024-01-17 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A Vibrio cholerae viral satellite maximizes its spread and inhibits phage by remodeling hijacked phage coat proteins into small capsids. Elife, 12, 2024
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6TNR
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![BU of 6tnr by Molmil](/molmil-images/mine/6tnr) | PI3K delta in complex with N[5(7{2[4(2hydroxypropan2yl)piperidin1 yl]ethoxy}1,3dihydro2benzofuran5yl)2 methoxypyridin3yl]methanesulfonamide | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide | Authors: | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | Deposit date: | 2019-12-10 | Release date: | 2020-01-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target. J.Med.Chem., 63, 2020
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6S4N
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![BU of 6s4n by Molmil](/molmil-images/mine/6s4n) | LXRbeta ligand binding domain in comlpex with small molecule inhibitors | Descriptor: | 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid, Oxysterols receptor LXR-beta, SULFATE ION | Authors: | Sandmark, J, Jansson, A. | Deposit date: | 2019-06-28 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands. Commun Biol, 2, 2019
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6S4U
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![BU of 6s4u by Molmil](/molmil-images/mine/6s4u) | LXRbeta ligand binding domain in comlpex with small molecule inhibitors | Descriptor: | 6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide, Oxysterols receptor LXR-beta | Authors: | Sandmark, J, Jansson, A. | Deposit date: | 2019-06-28 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands. Commun Biol, 2, 2019
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6S4T
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![BU of 6s4t by Molmil](/molmil-images/mine/6s4t) | LXRbeta ligand binding domain in comlpex with small molecule inhibitors | Descriptor: | 2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid, Oxysterols receptor LXR-beta | Authors: | Sandmark, J, Jansson, A. | Deposit date: | 2019-06-28 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands. Commun Biol, 2, 2019
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6S5K
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![BU of 6s5k by Molmil](/molmil-images/mine/6s5k) | LXRbeta ligand binding domain in complex with small molecule inhibitors | Descriptor: | 3-(4-phenylbutylamino)-1,4-bis(phenylmethyl)pyrrole-2,5-dione, Oxysterols receptor LXR-beta | Authors: | Petersen, J. | Deposit date: | 2019-07-01 | Release date: | 2019-12-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands. Commun Biol, 2, 2019
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6TNS
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![BU of 6tns by Molmil](/molmil-images/mine/6tns) | PI3K delta in complex with 2methoxyN[2methoxy5(7{[(2R)4(oxetan3 yl)morpholin2yl]methoxy}1,3dihydro2 benzofuran5yl)pyridin3yl]ethane1 sulfonamide | Descriptor: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | Deposit date: | 2019-12-10 | Release date: | 2020-01-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target. J.Med.Chem., 63, 2020
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6MNZ
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![BU of 6mnz by Molmil](/molmil-images/mine/6mnz) | Crystal structure of RibBX, a two domain 3,4-dihydroxy-2-butanone 4-phosphate synthase from A. baumannii. | Descriptor: | 3,4-dihydroxy-2-butanone 4-phosphate synthase, CHLORIDE ION, SULFATE ION | Authors: | Wang, J, Gonzalez-Gutierrez, G, Giedroc, D.P. | Deposit date: | 2018-10-03 | Release date: | 2019-04-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Multi-metal Restriction by Calprotectin Impacts De Novo Flavin Biosynthesis in Acinetobacter baumannii. Cell Chem Biol, 26, 2019
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6TRE
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![BU of 6tre by Molmil](/molmil-images/mine/6tre) | Structure of the RBM3/collar region of the Salmonella flagella MS-ring protein FliF with 32-fold symmetry applied | Descriptor: | Flagellar M-ring protein | Authors: | Johnson, S, Fong, Y.H, Deme, J.C, Furlong, E.J, Kuhlen, L, Lea, S.M. | Deposit date: | 2019-12-18 | Release date: | 2020-03-18 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure of the bacterial flagellar rotor MS-ring: a minimum inventory/maximum diversity system. To Be Published
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6WTQ
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![BU of 6wtq by Molmil](/molmil-images/mine/6wtq) | Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 4 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-4-{[4-(1-propyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}benzamide, ... | Authors: | Yu, S, Nithianantham, S, Fischer, M. | Deposit date: | 2020-05-03 | Release date: | 2021-05-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.79968476 Å) | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6WTN
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![BU of 6wtn by Molmil](/molmil-images/mine/6wtn) | Human JAK2 JH1 domain in complex with Ruxolitinib | Descriptor: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2 | Authors: | Yu, S, Nithianantham, S, Fischer, M. | Deposit date: | 2020-05-03 | Release date: | 2021-05-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6WTP
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![BU of 6wtp by Molmil](/molmil-images/mine/6wtp) | Human JAK2 JH1 domain in complex with PROTAC-intermediate linker handle 3 | Descriptor: | GLYCEROL, Tyrosine-protein kinase JAK2, tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate | Authors: | Yu, S, Nithianantham, S, Fischer, M. | Deposit date: | 2020-05-03 | Release date: | 2021-05-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6WTO
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![BU of 6wto by Molmil](/molmil-images/mine/6wto) | Human JAK2 JH1 domain in complex with Baricitinib | Descriptor: | 1,2-ETHANEDIOL, Baricitinib, Tyrosine-protein kinase JAK2 | Authors: | Yu, S, Nithianantham, S, Fischer, M. | Deposit date: | 2020-05-03 | Release date: | 2021-05-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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6XYG
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![BU of 6xyg by Molmil](/molmil-images/mine/6xyg) | Femtosecond structure of bovine trypsin at room temperature | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Jensen, M. | Deposit date: | 2020-01-30 | Release date: | 2021-02-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.50000238 Å) | Cite: | High-resolution macromolecular crystallography at the FemtoMAX beamline with time-over-threshold photon detection J.Synchrotron Radiat., 2021
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1LU0
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![BU of 1lu0 by Molmil](/molmil-images/mine/1lu0) | Atomic Resolution Structure of Squash Trypsin Inhibitor: Unexpected Metal Coordination | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, GLYCEROL, SULFATE ION, ... | Authors: | Thaimattam, R, Tykarska, E, Bierzynski, A, Sheldrick, G.M, Jaskolski, M. | Deposit date: | 2002-05-21 | Release date: | 2002-08-28 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Atomic resolution structure of squash trypsin inhibitor: unexpected metal coordination. Acta Crystallogr.,Sect.D, 58, 2002
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4TX2
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![BU of 4tx2 by Molmil](/molmil-images/mine/4tx2) | |
8TB7
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![BU of 8tb7 by Molmil](/molmil-images/mine/8tb7) | Cryo-EM Structure of GPR61- | Descriptor: | 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide, Fab hinge-binding nanobody, Fab24 BAK5 heavy chain, ... | Authors: | Lees, J.A, Dias, J.M, Han, S. | Deposit date: | 2023-06-28 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism. Nat Commun, 14, 2023
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8TB0
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![BU of 8tb0 by Molmil](/molmil-images/mine/8tb0) | Cryo-EM Structure of GPR61-G protein complex stabilized by scFv16 | Descriptor: | GPR61 fused to dominant negative G alpha S/I N18 chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Lees, J.A, Dias, J.M, Han, S. | Deposit date: | 2023-06-28 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism. Nat Commun, 14, 2023
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8TOQ
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![BU of 8toq by Molmil](/molmil-images/mine/8toq) | ACE2-peptide 1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Christie, M, Payne, R.J. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TOS
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![BU of 8tos by Molmil](/molmil-images/mine/8tos) | ACE2-peptide 6 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | Authors: | Christie, M, Payne, R. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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8TOR
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![BU of 8tor by Molmil](/molmil-images/mine/8tor) | ACE2-peptide 2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Christie, M, Payne, R.J. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol., 19, 2024
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