8S07
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![BU of 8s07 by Molmil](/molmil-images/mine/8s07) | A fragment-based inhibitor of SHP2 | Descriptor: | 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-13 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0I
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![BU of 8s0i by Molmil](/molmil-images/mine/8s0i) | A fragment-based inhibitor of SHP2 | Descriptor: | 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-14 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.929 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8C7T
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5K3E
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![BU of 5k3e by Molmil](/molmil-images/mine/5k3e) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Glycolate - Cocrystallized | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | Deposit date: | 2016-05-19 | Release date: | 2017-02-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis. Science, 355, 2017
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6HSE
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![BU of 6hse by Molmil](/molmil-images/mine/6hse) | Structure of dithionite-reduced RsrR in spacegroup P2(1) | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Rrf2 family transcriptional regulator, ... | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | Deposit date: | 2018-10-01 | Release date: | 2019-01-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of the Transcription Regulator RsrR Reveals a [2Fe-2S] Cluster Coordinated by Cys, Glu, and His Residues. J. Am. Chem. Soc., 141, 2019
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8SCA
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![BU of 8sca by Molmil](/molmil-images/mine/8sca) | Rec3 Domain from S. pyogenes Cas9 | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1 | Authors: | D'Ordine, A.M, Skeens, E, Lisi, G.P, Jogl, G. | Deposit date: | 2023-04-05 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | High-fidelity, hyper-accurate, and evolved mutants rewire atomic-level communication in CRISPR-Cas9. Sci Adv, 10, 2024
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8S0Q
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![BU of 8s0q by Molmil](/molmil-images/mine/8s0q) | A fragment-based inhibitor of SHP2 | Descriptor: | (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-14 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.872 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8HW1
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![BU of 8hw1 by Molmil](/molmil-images/mine/8hw1) | Far-red light-harvesting complex of Antarctic alga Prasiola crispa | Descriptor: | (1S)-4-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-7,12,16-trimethyl-18-[(1R,4S)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, CHLOROPHYLL A, ... | Authors: | Kosugi, M, Kawasaki, M, Shibata, Y, Moriya, T, Adachi, N, Senda, T. | Deposit date: | 2022-12-28 | Release date: | 2023-01-18 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Uphill energy transfer mechanism for photosynthesis in an Antarctic alga. Nat Commun, 14, 2023
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8RZY
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![BU of 8rzy by Molmil](/molmil-images/mine/8rzy) | A fragment-based inhibitor of SHP2 | Descriptor: | 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-13 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0H
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![BU of 8s0h by Molmil](/molmil-images/mine/8s0h) | A fragment-based inhibitor of SHP2 | Descriptor: | 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-14 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0J
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![BU of 8s0j by Molmil](/molmil-images/mine/8s0j) | A fragment-based inhibitor of SHP2 | Descriptor: | 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-14 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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2H47
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![BU of 2h47 by Molmil](/molmil-images/mine/2h47) | Crystal Structure of an Electron Transfer Complex Between Aromatic Amine Dephydrogenase and Azurin from Alcaligenes Faecalis (Form 1) | Descriptor: | Aromatic Amine Dehydrogenase, Azurin, COPPER (II) ION | Authors: | Sukumar, N, Chen, Z, Leys, D, Scrutton, N.S, Ferrati, D, Merli, A, Rossi, G.L, Bellamy, H.D, Chistoserdov, A, Davidson, V.L, Mathews, F.S. | Deposit date: | 2006-05-23 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of an Electron Transfer Complex between Aromatic Amine Dehydrogenase and Azurin from Alcaligenes faecalis. Biochemistry, 45, 2006
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6TUN
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![BU of 6tun by Molmil](/molmil-images/mine/6tun) | Helicase domain complex | Descriptor: | CDK-activating kinase assembly factor MAT1, CHLORIDE ION, General transcription and DNA repair factor IIH helicase subunit XPD | Authors: | Sauer, F, Kisker, C. | Deposit date: | 2020-01-07 | Release date: | 2020-11-11 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | In TFIIH the Arch domain of XPD is mechanistically essential for transcription and DNA repair. Nat Commun, 11, 2020
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7MRL
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8C13
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![BU of 8c13 by Molmil](/molmil-images/mine/8c13) | Crystal structure of pVHL:ElonginC:ElonginB complex bound to PROTAC JW48 | Descriptor: | (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Kraemer, A, Weckesser, J, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2022-12-20 | Release date: | 2022-12-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization. Cell Chem Biol, 30, 2023
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6WCW
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![BU of 6wcw by Molmil](/molmil-images/mine/6wcw) | Structure of human Rubicon RH domain in complex with GTP-bound Rab7 | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-7a, ... | Authors: | Bhargava, H.K, Byck, J.M, Farrell, D.P, Anishchenko, I, DiMaio, F, Im, Y.J, Hurley, J.H. | Deposit date: | 2020-03-31 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for autophagy inhibition by the human Rubicon-Rab7 complex. Proc.Natl.Acad.Sci.USA, 117, 2020
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6WEO
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![BU of 6weo by Molmil](/molmil-images/mine/6weo) | IL-22 Signaling Complex with IL-22R1 and IL-10Rbeta | 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: | Saxton, R.A, Jude, K.M, Henneberg, L.T, Garcia, K.C. | Deposit date: | 2020-04-02 | Release date: | 2021-04-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The tissue protective functions of interleukin-22 can be decoupled from pro-inflammatory actions through structure-based design. Immunity, 54, 2021
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6O9Z
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![BU of 6o9z by Molmil](/molmil-images/mine/6o9z) | Electron cryo-microscopy of the eukaryotic translation initiation factor 2B bound to eukaryotic translation initiation factor 2 from Homo sapiens | Descriptor: | Eukaryotic translation initiation factor 2 subunit 1, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | Authors: | Nguyen, H.C, Kenner, L.R, Frost, A.S. | Deposit date: | 2019-03-15 | Release date: | 2019-05-15 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | eIF2B-catalyzed nucleotide exchange and phosphoregulation by the integrated stress response. Science, 364, 2019
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6OAO
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![BU of 6oao by Molmil](/molmil-images/mine/6oao) | Structure of DBP in complex with human neutralizing antibody 092096 | Descriptor: | Antibody 092096 single chain variable fragment, Duffy binding surface protein region II, SULFATE ION | Authors: | Urusova, D, Tolia, N.H. | Deposit date: | 2019-03-18 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.497 Å) | Cite: | Structural basis for neutralization of Plasmodium vivax by naturally acquired human antibodies that target DBP. Nat Microbiol, 4, 2019
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8Q8B
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8Q4H
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![BU of 8q4h by Molmil](/molmil-images/mine/8q4h) | a membrane-bound menaquinol:organohalide oxidoreductase complex RDH complex | Descriptor: | (~{Z})-1,2-bis(chloranyl)ethene, CO-METHYLCOBALAMIN, IRON/SULFUR CLUSTER, ... | Authors: | Dongchun, N, Ekundayo, B, Henning, S, Julien, M, Holliger, C, Cimmino, L. | Deposit date: | 2023-08-07 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structure of a membrane-bound menaquinol:organohalide oxidoreductase. Nat Commun, 14, 2023
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6JY4
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![BU of 6jy4 by Molmil](/molmil-images/mine/6jy4) | Monomeric Form of Bovine Heart Cytochrome c Oxidase in the Fully Reduced State | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, ... | Authors: | Shinzawa-Itoh, K, Muramoto, K. | Deposit date: | 2019-04-26 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Monomeric structure of an active form of bovine cytochromecoxidase. Proc.Natl.Acad.Sci.USA, 116, 2019
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8Q8A
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8Q89
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![BU of 8q89 by Molmil](/molmil-images/mine/8q89) | |
5LZP
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![BU of 5lzp by Molmil](/molmil-images/mine/5lzp) | Binding of the C-terminal GQYL motif of the bacterial proteasome activator Bpa to the 20S proteasome | Descriptor: | Bacterial proteasome activator, Proteasome subunit alpha, Proteasome subunit beta | Authors: | Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E. | Deposit date: | 2016-09-30 | Release date: | 2016-11-23 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural Analysis of the Bacterial Proteasome Activator Bpa in Complex with the 20S Proteasome. Structure, 24, 2016
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