2KIS
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![BU of 2kis by Molmil](/molmil-images/mine/2kis) | Solution structure of CA150 FF1 domain and FF1-FF2 interdomain linker | Descriptor: | Transcription elongation regulator 1 | Authors: | Murphy, J.M, Hansen, D, Wiesner, S, Muhandiram, D, Borg, M, Smith, M.J, Sicheri, F, Kay, L.E, Forman-Kay, J.D, Pawson, T. | Deposit date: | 2009-05-08 | Release date: | 2009-09-08 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Structural studies of FF domains of the transcription factor CA150 provide insights into the organization of FF domain tandem arrays. J.Mol.Biol., 393, 2009
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8S9G
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![BU of 8s9g by Molmil](/molmil-images/mine/8s9g) | SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ... | Authors: | Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | Deposit date: | 2023-03-28 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neutralization, effector function and immune imprinting of Omicron variants. Nature, 621, 2023
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3W94
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4PZV
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![BU of 4pzv by Molmil](/molmil-images/mine/4pzv) | Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D | Descriptor: | 1,2-ETHANEDIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine | Authors: | Shaw, G.X, Shi, G, Ji, X. | Deposit date: | 2014-03-31 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.704 Å) | Cite: | Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis. Febs J., 281, 2014
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6UH4
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![BU of 6uh4 by Molmil](/molmil-images/mine/6uh4) | B. theta Bile Salt Hydrolase with covalent inhibitor | Descriptor: | (5R,6R)-6-[(1S,2R,4aS,4bS,7R,8aS,10R,10aS)-7,10-dihydroxy-1,2,4b-trimethyltetradecahydrophenanthren-2-yl]-5-methylheptan-2-one, Choloylglycine hydrolase | Authors: | Seegar, T.C.M. | Deposit date: | 2019-09-26 | Release date: | 2020-02-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | Development of a covalent inhibitor of gut bacterial bile salt hydrolases. Nat.Chem.Biol., 16, 2020
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7RT7
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![BU of 7rt7 by Molmil](/molmil-images/mine/7rt7) | Crystal structure of the RhsP2 C-terminal toxin domain in complex with its immunity protein, RhsI2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, RhsI2, RhsP2 | Authors: | Bullen, N.P, Prehna, G, Whitney, J.C. | Deposit date: | 2021-08-12 | Release date: | 2022-08-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | An ADP-ribosyltransferase toxin kills bacterial cells by modifying structured non-coding RNAs. Mol.Cell, 82, 2022
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3DS6
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![BU of 3ds6 by Molmil](/molmil-images/mine/3ds6) | P38 complex with a phthalazine inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide | Authors: | Herberich, B, Syed, R, Li, V, Grosfeld, D. | Deposit date: | 2008-07-11 | Release date: | 2008-10-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
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8H0N
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![BU of 8h0n by Molmil](/molmil-images/mine/8h0n) | Crystal structure of the human METTL1-WDR4 complex | Descriptor: | tRNA (guanine-N(7)-)-methyltransferase, tRNA (guanine-N(7)-)-methyltransferase non-catalytic subunit WDR4 | Authors: | Jin, X.H, Guan, Z.Y, Gong, Z, Zhang, D.L. | Deposit date: | 2022-09-30 | Release date: | 2023-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insight into how WDR4 promotes the tRNA N7-methylguanosine methyltransferase activity of METTL1. Cell Discov, 9, 2023
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8HID
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![BU of 8hid by Molmil](/molmil-images/mine/8hid) | HUMAN ERYTHROCYTE CATALSE COMPLEXED WITH BT-Br | Descriptor: | (~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol, Catalase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lin, H.-Y, Yang, G.-F. | Deposit date: | 2022-11-19 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A catalase inhibitor: Targeting the NADPH-binding site for castration-resistant prostate cancer therapy. Redox Biol, 63, 2023
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4EZL
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3DT1
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![BU of 3dt1 by Molmil](/molmil-images/mine/3dt1) | P38 Complexed with a quinazoline inhibitor | Descriptor: | Mitogen-activated protein kinase 14, N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide | Authors: | Herberich, B, Syed, R, Li, V, Tasker, A.S. | Deposit date: | 2008-07-14 | Release date: | 2008-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold. J.Med.Chem., 51, 2008
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6N0J
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![BU of 6n0j by Molmil](/molmil-images/mine/6n0j) | The complex of CCG-222740 bound to pirin | Descriptor: | (3S)-N-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzene-1-carbonyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, FE (III) ION, ... | Authors: | Lisabeth, E.M, Jin, X, Neubig, R. | Deposit date: | 2018-11-07 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Identification of Pirin as a Molecular Target of the CCG-1423/CCG-203971 Series of Antifibrotic and Antimetastatic Compounds ACS Pharmacol Transl Sci, 2, 2019
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8IFF
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![BU of 8iff by Molmil](/molmil-images/mine/8iff) | Cryo-EM structure of Arabidopsis phytochrome A. | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A | Authors: | Ma, L, Zhou, C, Wang, J, Guan, Z, Yin, P. | Deposit date: | 2023-02-17 | Release date: | 2023-08-02 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Plant phytochrome A in the Pr state assembles as an asymmetric dimer. Cell Res., 33, 2023
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6JKJ
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![BU of 6jkj by Molmil](/molmil-images/mine/6jkj) | Crystal structure of human SPSB2 in the apo-state | Descriptor: | SPRY domain-containing SOCS box protein 2 | Authors: | Luo, Y, Kuang, Z. | Deposit date: | 2019-03-01 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the SPRY domain of human SPSB2 in the apo state. Acta Crystallogr.,Sect.F, 75, 2019
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4EZJ
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7WVM
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![BU of 7wvm by Molmil](/molmil-images/mine/7wvm) | The complex structure of PD-1 and cemiplimab | Descriptor: | Heavy Chain of Cemiplimab, Light Chain of Cemiplimab, Programmed cell death protein 1 | Authors: | Lu, D, Xu, Z.P, Liu, K.F, Tan, S.G, Gao, G.F, Chai, Y. | Deposit date: | 2022-02-10 | Release date: | 2022-04-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | PD-1 N58-Glycosylation-Dependent Binding of Monoclonal Antibody Cemiplimab for Immune Checkpoint Therapy. Front Immunol, 13, 2022
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3KTZ
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![BU of 3ktz by Molmil](/molmil-images/mine/3ktz) | Structure of GAP31 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ribosome-inactivating protein gelonin | Authors: | Kong, X.-P. | Deposit date: | 2009-11-26 | Release date: | 2010-01-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions. Biochem.Biophys.Res.Commun., 391, 2010
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6N0K
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![BU of 6n0k by Molmil](/molmil-images/mine/6n0k) | The complex of CCG-257081 bound to pirin | Descriptor: | (3R)-N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzene-1-carbonyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, FE (III) ION, ... | Authors: | Lisabeth, E.M, Jin, X, Neubig, R. | Deposit date: | 2018-11-07 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Identification of Pirin as a Molecular Target of the CCG-1423/CCG-203971 Series of Antifibrotic and Antimetastatic Compounds ACS Pharmacol Transl Sci, 2, 2019
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6G76
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3KU0
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![BU of 3ku0 by Molmil](/molmil-images/mine/3ku0) | Structure of GAP31 with adenine at its binding pocket | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, Ribosome-inactivating protein gelonin | Authors: | Kong, X.-P. | Deposit date: | 2009-11-26 | Release date: | 2010-01-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions. Biochem.Biophys.Res.Commun., 391, 2010
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4EZK
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2LCB
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![BU of 2lcb by Molmil](/molmil-images/mine/2lcb) | Solution Structure of a Minor and Transiently Formed State of a T4 Lysozyme Mutant | Descriptor: | Lysozyme | Authors: | Bouvignies, G, Vallurupalli, P, Hansen, D, Correia, B, Lange, O, Bah, A, Vernon, R.M, Dahlquist, F.W, Baker, D, Kay, L.E. | Deposit date: | 2011-04-26 | Release date: | 2011-08-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of a minor and transiently formed state of a T4 lysozyme mutant. Nature, 477, 2011
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2LC9
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![BU of 2lc9 by Molmil](/molmil-images/mine/2lc9) | Solution Structure of a Minor and Transiently Formed State of a T4 Lysozyme Mutant | Descriptor: | Lysozyme | Authors: | Bouvignies, G, Vallurupalli, P, Hansen, D, Correia, B, Lange, O, Bah, A, Vernon, R.M, Dahlquist, F.W, Baker, D, Kay, L.E. | Deposit date: | 2011-04-26 | Release date: | 2011-08-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of a minor and transiently formed state of a T4 lysozyme mutant. Nature, 477, 2011
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2YIQ
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![BU of 2yiq by Molmil](/molmil-images/mine/2yiq) | Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1322 | Descriptor: | (E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | Authors: | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | Deposit date: | 2011-05-16 | Release date: | 2011-09-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket. FEBS Lett., 585, 2011
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6K8K
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![BU of 6k8k by Molmil](/molmil-images/mine/6k8k) | Crystal structure of Arabidopsis thaliana BIC2-CRY2 complex | Descriptor: | ADENOSINE MONOPHOSPHATE, Cryptochrome-2, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Wang, X, Ma, L, Guan, Z, Yin, P. | Deposit date: | 2019-06-12 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into BIC-mediated inactivation of Arabidopsis cryptochrome 2. Nat.Struct.Mol.Biol., 27, 2020
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