4J3E
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![BU of 4j3e by Molmil](/molmil-images/mine/4j3e) | The 1.9A crystal structure of humanized Xenopus Mdm2 with nutlin-3a | Descriptor: | 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Graves, B.J, Lukacs, C.M, Kammlott, R.U, Crowther, R. | Deposit date: | 2013-02-05 | Release date: | 2013-04-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Discovery of RG7112: A Small-Molecule MDM2 Inhibitor in Clinical Development. ACS Med Chem Lett, 4, 2013
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5JUR
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![BU of 5jur by Molmil](/molmil-images/mine/5jur) | PB2 bound to an azaindole inhibitor | Descriptor: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid, Polymerase basic protein 2 | Authors: | Jacobs, M.D. | Deposit date: | 2016-05-10 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2. ACS Med Chem Lett, 8, 2017
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3OUB
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![BU of 3oub by Molmil](/molmil-images/mine/3oub) | MDR769 HIV-1 protease complexed with NC/p1 hepta-peptide | Descriptor: | MDR HIV-1 protease, NC/p1 substrate peptide | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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3OUD
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![BU of 3oud by Molmil](/molmil-images/mine/3oud) | MDR769 HIV-1 protease complexed with CA/p2 hepta-peptide | Descriptor: | CA/p2 substrate peptide, MDR HIV-1 protease | Authors: | Liu, Z, Wang, Y, Brunzelle, J, Kovari, I.A, Kovari, L.C. | Deposit date: | 2010-09-14 | Release date: | 2011-03-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Nine Crystal Structures Determine the Substrate Envelope of the MDR HIV-1 Protease. Protein J., 30, 2011
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8HS2
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![BU of 8hs2 by Molmil](/molmil-images/mine/8hs2) | Orphan GPR20 in complex with Fab046 | Descriptor: | Light chain of Fab046, Soluble cytochrome b562,G-protein coupled receptor 20, heavy chain of Fab046 | Authors: | Lin, X, Jiang, S, Xu, F. | Deposit date: | 2022-12-16 | Release date: | 2023-03-08 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | The activation mechanism and antibody binding mode for orphan GPR20. Cell Discov, 9, 2023
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8HFM
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![BU of 8hfm by Molmil](/molmil-images/mine/8hfm) | Crystal Structure of Mycobacterium smegmatis MshC | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, ZINC ION | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | Deposit date: | 2022-11-11 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides. Int J Mol Sci, 23, 2022
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5N2F
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![BU of 5n2f by Molmil](/molmil-images/mine/5n2f) | Structure of PD-L1/small-molecule inhibitor complex | Descriptor: | 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid, Programmed cell death 1 ligand 1 | Authors: | Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A. | Deposit date: | 2017-02-07 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. J. Med. Chem., 60, 2017
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8HFO
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![BU of 8hfo by Molmil](/molmil-images/mine/8hfo) | Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7d | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, N-[(3M)-3-(thiophen-2-yl)benzene-1-sulfonyl]-L-cysteinamide, ... | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | Deposit date: | 2022-11-11 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides. Int J Mol Sci, 23, 2022
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8HFN
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![BU of 8hfn by Molmil](/molmil-images/mine/8hfn) | Crystal Structure of Mycobacterium smegmatis MshC in Complex with Compound 7b | Descriptor: | CALCIUM ION, L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase, N-[(3M)-3-(6-methoxypyridin-3-yl)benzene-1-sulfonyl]-L-cysteinamide, ... | Authors: | Pang, L, Weeks, S.D, Strelkov, S.V. | Deposit date: | 2022-11-11 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Basis of Cysteine Ligase MshC Inhibition by Cysteinyl-Sulfonamides. Int J Mol Sci, 23, 2022
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8HGH
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![BU of 8hgh by Molmil](/molmil-images/mine/8hgh) | Structure of 2:2 PAPP-A.STC2 complex | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-11-14 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (4.16 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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8HGG
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![BU of 8hgg by Molmil](/molmil-images/mine/8hgg) | Structure of 2:2 PAPP-A.ProMBP complex | Descriptor: | Bone marrow proteoglycan, Pappalysin-1, ZINC ION | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-11-14 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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8QNZ
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![BU of 8qnz by Molmil](/molmil-images/mine/8qnz) | Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1-BUTANOL, BROMIDE ION, ... | Authors: | Zhou, Q, He, Y, Jin, Y. | Deposit date: | 2023-09-27 | Release date: | 2023-11-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity. Acs Cent.Sci., 9, 2023
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1U1J
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![BU of 1u1j by Molmil](/molmil-images/mine/1u1j) | A. thaliana cobalamine independent methionine synthase | Descriptor: | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, METHIONINE, ... | Authors: | Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R. | Deposit date: | 2004-07-15 | Release date: | 2004-09-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate J.Biol.Chem., 279, 2004
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8H3X
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![BU of 8h3x by Molmil](/molmil-images/mine/8h3x) | Bacteroide Fragilis Toxin in complex with nanobody 282 | Descriptor: | Fragilysin, ZINC ION, nanobody 282 | Authors: | Wen, Y, Guo, Y. | Deposit date: | 2022-10-09 | Release date: | 2023-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin. Front Immunol, 14, 2023
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8H3Y
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![BU of 8h3y by Molmil](/molmil-images/mine/8h3y) | Bacteroide Fragilis Toxin in complex with nanobody 327 | Descriptor: | Fragilysin, Nanobody 327, ZINC ION | Authors: | Wen, Y, Guo, Y. | Deposit date: | 2022-10-09 | Release date: | 2023-02-08 | Last modified: | 2023-03-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Screening and epitope characterization of diagnostic nanobody against total and activated Bacteroides fragilis toxin. Front Immunol, 14, 2023
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8HMV
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![BU of 8hmv by Molmil](/molmil-images/mine/8hmv) | Structure of GPR21-Gs complex | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Wong, T.S, Gao, W. | Deposit date: | 2022-12-05 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Cryo-EM structure of orphan G protein-coupled receptor GPR21. MedComm (2020), 4, 2023
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8HS3
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![BU of 8hs3 by Molmil](/molmil-images/mine/8hs3) | Gi bound orphan GPR20 in ligand-free state | Descriptor: | Ggama, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Lin, X, Jiang, S, Xu, F. | Deposit date: | 2022-12-16 | Release date: | 2023-03-08 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | The activation mechanism and antibody binding mode for orphan GPR20. Cell Discov, 9, 2023
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8HSC
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![BU of 8hsc by Molmil](/molmil-images/mine/8hsc) | Gi bound Orphan GPR20 complex with Fab046 in ligand-free state | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Lin, X, Jiang, S, Xu, F. | Deposit date: | 2022-12-19 | Release date: | 2023-03-08 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | The activation mechanism and antibody binding mode for orphan GPR20. Cell Discov, 9, 2023
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8HGW
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![BU of 8hgw by Molmil](/molmil-images/mine/8hgw) | Crystal structure of MehpH in complex with MBP | Descriptor: | 1-BUTANOL, Monoalkyl phthalate hydrolase, PHTHALIC ACID | Authors: | Zhang, Z.M, Wang, Y.J, Chen, Y.B. | Deposit date: | 2022-11-15 | Release date: | 2023-03-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.80001163 Å) | Cite: | Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase. Commun Chem, 6, 2023
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8HGV
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![BU of 8hgv by Molmil](/molmil-images/mine/8hgv) | |
4JHW
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![BU of 4jhw by Molmil](/molmil-images/mine/4jhw) | Crystal Structure of Respiratory Syncytial Virus Fusion Glycoprotein Stabilized in the Prefusion Conformation by Human Antibody D25 | Descriptor: | D25 antigen-binding fragment heavy chain, D25 light chain, Fusion glycoprotein F0 | Authors: | Mclellan, J.S, Chen, M, Leung, S, Graepel, K.W, Du, X, Yang, Y, Zhou, T, Baxa, U, Yasuda, E, Beaumont, T, Kumar, A, Modjarrad, K, Zheng, Z, Zhao, M, Xia, N, Kwong, P.D, Graham, B.S. | Deposit date: | 2013-03-05 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure of RSV fusion glycoprotein trimer bound to a prefusion-specific neutralizing antibody. Science, 340, 2013
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1U1U
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![BU of 1u1u by Molmil](/molmil-images/mine/1u1u) | A. thaliana cobalamine independent methionine synthase | Descriptor: | 5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase, SULFATE ION, ZINC ION | Authors: | Ferrer, J.-L, Ravanel, S, Robert, M, Dumas, R. | Deposit date: | 2004-07-16 | Release date: | 2004-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Crystal structures of cobalamin-independent methionine synthase complexed with zinc, homocysteine, and methyltetrahydrofolate J.Biol.Chem., 279, 2004
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3OWL
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![BU of 3owl by Molmil](/molmil-images/mine/3owl) | Human CK2 catalytic domain in complex with a benzopyridoindole derivative inhibitor | Descriptor: | 11-chloro-8-methyl-7H-benzo[e]pyrido[4,3-b]indol-3-ol, CSNK2A1 protein, SULFATE ION | Authors: | Reiser, J.-B, Prudent, R, Cochet, C. | Deposit date: | 2010-09-20 | Release date: | 2010-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Antitumor activity of pyridocarbazole and benzopyridoindole derivatives that inhibit protein kinase CK2. Cancer Res., 70, 2010
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8SMC
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![BU of 8smc by Molmil](/molmil-images/mine/8smc) | Cryo-EM structure of LRRK2 bound with type-I inhibitor DNL201 | Descriptor: | 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, GUANOSINE-5'-DIPHOSPHATE, non-specific serine/threonine protein kinase | Authors: | Sun, J, Zhu, H. | Deposit date: | 2023-04-26 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (4.02 Å) | Cite: | Rab29-dependent asymmetrical activation of leucine-rich repeat kinase 2. Science, 382, 2023
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8H2T
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![BU of 8h2t by Molmil](/molmil-images/mine/8h2t) | Cryo-EM structure of IadD/E dioxygenase bound with IAA | Descriptor: | 1H-INDOL-3-YLACETIC ACID, Aromatic-ring-hydroxylating dioxygenase beta subunit, FE (III) ION, ... | Authors: | Yu, G, Li, Z, Zhang, H. | Deposit date: | 2022-10-07 | Release date: | 2023-06-14 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Structural and biochemical characterization of the key components of an auxin degradation operon from the rhizosphere bacterium Variovorax. Plos Biol., 21, 2023
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