4KJU
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![BU of 4kju by Molmil](/molmil-images/mine/4kju) | Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor. | Descriptor: | E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2013-05-03 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56, 2013
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1VRM
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![BU of 1vrm by Molmil](/molmil-images/mine/1vrm) | |
4KJV
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![BU of 4kjv by Molmil](/molmil-images/mine/4kjv) | Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor. | Descriptor: | 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2013-05-03 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56, 2013
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3HW3
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![BU of 3hw3 by Molmil](/molmil-images/mine/3hw3) | The crystal structure of avian influenza virus PA_N in complex with UMP | Descriptor: | MAGNESIUM ION, Polymerase acidic protein, URIDINE-5'-MONOPHOSPHATE | Authors: | Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z. | Deposit date: | 2009-06-17 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center J.Virol., 83, 2009
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3HW6
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![BU of 3hw6 by Molmil](/molmil-images/mine/3hw6) | Crystal structure of avian influenza virus PA_N in complex with Mn | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein | Authors: | Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z. | Deposit date: | 2009-06-17 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center J.Virol., 83, 2009
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6JQH
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![BU of 6jqh by Molmil](/molmil-images/mine/6jqh) | Crystal structure of MaDA | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MaDA | Authors: | Du, X.X, Lei, X.G. | Deposit date: | 2019-03-31 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis. Nat.Chem., 12, 2020
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3HW4
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![BU of 3hw4 by Molmil](/molmil-images/mine/3hw4) | Crystal structure of avian influenza A virus in complex with TMP | Descriptor: | MAGNESIUM ION, Polymerase acidic protein, THYMIDINE-5'-PHOSPHATE | Authors: | Zhao, C, Lou, Z, Guo, Y, Ma, M, Chen, Y, Rao, Z. | Deposit date: | 2009-06-17 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Nucleoside monophosphate complex structures of the endonuclease domain from the influenza virus polymerase PA subunit reveal the substrate binding site inside the catalytic center J.Virol., 83, 2009
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6AAW
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![BU of 6aaw by Molmil](/molmil-images/mine/6aaw) | Mdm2 in complex with a D amino Acid Containing Stapled Peptide | Descriptor: | ACE-LEU-THR-PHE-STQ-GLU-TYR-DTR-GLN-LEU-CBA-MK8-SER-ALA-ALA, E3 ubiquitin-protein ligase Mdm2 | Authors: | Brown, C.J, Partridge, A.W. | Deposit date: | 2018-07-19 | Release date: | 2019-07-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Model System to Explore Macrocyclic Peptide Structural and Chirality Relationships: Tolerance of helix-breaking residues within the context of a stapled peptide. To Be Published
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8KGK
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![BU of 8kgk by Molmil](/molmil-images/mine/8kgk) | Cryo-EM structure of the GPR61-Gs complex | Descriptor: | G-protein coupled receptor 61, 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: | Nie, Y, Qiu, Z, Zheng, S. | Deposit date: | 2023-08-19 | Release date: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.16 Å) | Cite: | Specific binding of GPR174 by endogenous lysophosphatidylserine leads to high constitutive G s signaling. Nat Commun, 14, 2023
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6KZU
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![BU of 6kzu by Molmil](/molmil-images/mine/6kzu) | |
8SDR
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![BU of 8sdr by Molmil](/molmil-images/mine/8sdr) | |
8SDV
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![BU of 8sdv by Molmil](/molmil-images/mine/8sdv) | Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor S02030 | Descriptor: | 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | Authors: | Kumar, V, van den Akker, F. | Deposit date: | 2023-04-07 | Release date: | 2023-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase. Antimicrob.Agents Chemother., 67, 2023
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8SDN
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![BU of 8sdn by Molmil](/molmil-images/mine/8sdn) | Crystal structure of PDC-3 Y221H beta-lactamase | Descriptor: | Beta-lactamase, ISOPROPYL ALCOHOL | Authors: | Kumar, V, van den Akker, F. | Deposit date: | 2023-04-07 | Release date: | 2023-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase. Antimicrob.Agents Chemother., 67, 2023
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8SDT
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![BU of 8sdt by Molmil](/molmil-images/mine/8sdt) | |
8SDL
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![BU of 8sdl by Molmil](/molmil-images/mine/8sdl) | Crystal structure of PDC-3 beta-lactamase | Descriptor: | Beta-lactamase, IMIDAZOLE, ISOPROPYL ALCOHOL | Authors: | Kumar, V, van den Akker, F. | Deposit date: | 2023-04-07 | Release date: | 2023-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase. Antimicrob.Agents Chemother., 67, 2023
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8SDS
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8T4S
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8IVZ
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![BU of 8ivz by Molmil](/molmil-images/mine/8ivz) | Crystal structure of talin R7 in complex with KANK1 KN motif | Descriptor: | KN motif and ankyrin repeat domains 1, Talin-1 | Authors: | Xu, Y, Li, K, Wei, Z, Cong, Y. | Deposit date: | 2023-03-29 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation. Cell Rep, 42, 2023
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7FH0
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![BU of 7fh0 by Molmil](/molmil-images/mine/7fh0) | |
8HXQ
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![BU of 8hxq by Molmil](/molmil-images/mine/8hxq) | Nanobody1 in complex with human BCMA ECD | Descriptor: | Nanobody1, Tumor necrosis factor receptor superfamily member 17 | Authors: | Sun, Y, Zhang, B. | Deposit date: | 2023-01-05 | Release date: | 2024-01-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Antigen-induced chimeric antigen receptor multimerization amplifies on-tumor cytotoxicity. Signal Transduct Target Ther, 8, 2023
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8HXR
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![BU of 8hxr by Molmil](/molmil-images/mine/8hxr) | Nanobody2 in complex with human BCMA ECD | Descriptor: | Nanobody2, Tumor necrosis factor receptor superfamily member 17 | Authors: | Sun, Y, Zhang, B. | Deposit date: | 2023-01-05 | Release date: | 2024-01-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Antigen-induced chimeric antigen receptor multimerization amplifies on-tumor cytotoxicity. Signal Transduct Target Ther, 8, 2023
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4RAP
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![BU of 4rap by Molmil](/molmil-images/mine/4rap) | Crystal structure of bacterial iron-containing dodecameric glycosyltransferase TibC from enterotoxigenic E.coli H10407 | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Glycosyltransferase TibC | Authors: | Yao, Q, Lu, Q, Xu, Y, Shao, F. | Deposit date: | 2014-09-10 | Release date: | 2014-10-29 | Method: | X-RAY DIFFRACTION (2.881 Å) | Cite: | A structural mechanism for bacterial autotransporter glycosylation by a dodecameric heptosyltransferase family. Elife, 3, 2014
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7X9E
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![BU of 7x9e by Molmil](/molmil-images/mine/7x9e) | Crystal structure of the 76E1 Fab in complex with a SARS-CoV-2 spike peptide | Descriptor: | 76E1 Fab Heavy Chain, 76E1 Fab Light Chain, Spike peptide | Authors: | Chen, X, Zhang, T, Ding, J, Sun, X, Sun, B. | Deposit date: | 2022-03-15 | Release date: | 2022-05-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Neutralization mechanism of a human antibody with pan-coronavirus reactivity including SARS-CoV-2. Nat Microbiol, 7, 2022
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1VR8
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![BU of 1vr8 by Molmil](/molmil-images/mine/1vr8) | |
6NPE
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![BU of 6npe by Molmil](/molmil-images/mine/6npe) | C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide | Descriptor: | 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ... | Authors: | campobasso, N. | Deposit date: | 2019-01-17 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies. J. Med. Chem., 62, 2019
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