5V7I
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![BU of 5v7i by Molmil](/molmil-images/mine/5v7i) | Crystal structure of homo sapiens serine hydroxymethyltransferase 2 (mitochondrial) (SHMT2), in complex with glycine, PLP and folate-competitive pyrazolopyran inhibitor: 6-amino-4-isopropyl-3-methyl-4-(3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | Descriptor: | (4R)-6-amino-3-methyl-4-(propan-2-yl)-4-[3-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Ducker, G.S, Ghergurovich, J.M, Mainolfi, N, Suri, V, Jeong, S, Friedman, A, Manfredi, M, Kim, H, Rabinowitz, J.D. | Deposit date: | 2017-03-20 | Release date: | 2017-10-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Human SHMT inhibitors reveal defective glycine import as a targetable metabolic vulnerability of diffuse large B-cell lymphoma. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6SBV
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![BU of 6sbv by Molmil](/molmil-images/mine/6sbv) | X-ray Structure of Human LDH-A with an Allosteric Inhibitor (Compound 7) | Descriptor: | L-lactate dehydrogenase A chain, ~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide | Authors: | Friberg, A, Puetter, V, Nguyen, D, Rehwinkel, H. | Deposit date: | 2019-07-22 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Evidence for Isoform-Selective Allosteric Inhibition of Lactate Dehydrogenase A. Acs Omega, 5, 2020
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1CTN
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![BU of 1ctn by Molmil](/molmil-images/mine/1ctn) | CRYSTAL STRUCTURE OF A BACTERIAL CHITINASE AT 2.3 ANGSTROMS RESOLUTION | Descriptor: | CHITINASE A | Authors: | Perrakis, A, Tews, I, Dauter, Z, Wilson, K.S, Vorgias, C.E. | Deposit date: | 1994-10-10 | Release date: | 1995-02-07 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a bacterial chitinase at 2.3 A resolution. Structure, 2, 1994
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6M8Z
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![BU of 6m8z by Molmil](/molmil-images/mine/6m8z) | Crystal structure of human DJ-1 without a modification on Cys-106 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Shumilin, I.A, Shabalin, I.G, Shumilina, S.V, Werenskjold, C, Utepbergenov, D, Minor, W. | Deposit date: | 2018-08-22 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1. Biochem. Biophys. Res. Commun., 504, 2018
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1BDC
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![BU of 1bdc by Molmil](/molmil-images/mine/1bdc) | STAPHYLOCOCCUS AUREUS PROTEIN A, IMMUNOGLOBULIN-BINDING B DOMAIN, NMR, 10 STRUCTURES | Descriptor: | STAPHYLOCOCCUS AUREUS PROTEIN A | Authors: | Gouda, H, Torigoe, H, Saito, A, Sato, M, Arata, Y, Shimada, I. | Deposit date: | 1996-06-28 | Release date: | 1997-01-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of the B domain of staphylococcal protein A: comparisons of the solution and crystal structures. Biochemistry, 31, 1992
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6MVW
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![BU of 6mvw by Molmil](/molmil-images/mine/6mvw) | NavAb voltage-gated sodium channel, I217C/F203W | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Ion transport protein, PHOSPHATE ION | Authors: | Lenaeus, M.J, Catterall, W.A. | Deposit date: | 2018-10-28 | Release date: | 2018-12-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.198 Å) | Cite: | Fenestrations control resting-state block of a voltage-gated sodium channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6FL9
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![BU of 6fl9 by Molmil](/molmil-images/mine/6fl9) | |
5XPP
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![BU of 5xpp by Molmil](/molmil-images/mine/5xpp) | Crystal structure of VDR-LBD complexed with 25RS-(Hydroxyphenyl)-2-methylidene-19,26,27-trinor-1,25-dihydroxyvitamin D3 | Descriptor: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Kato, A, Itoh, T, Yamamoto, K. | Deposit date: | 2017-06-03 | Release date: | 2018-06-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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6FLI
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6CON
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![BU of 6con by Molmil](/molmil-images/mine/6con) | Crystal structure of Mycobacterium tuberculosis IpdAB | Descriptor: | CoA-transferase subunit alpha, CoA-transferase subunit beta | Authors: | Crowe, A.M, Workman, S.D, Watanabe, N, Worrall, L.J, Strynadka, N.C.J, Eltis, L.D. | Deposit date: | 2018-03-12 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | IpdAB, a virulence factor inMycobacterium tuberculosis, is a cholesterol ring-cleaving hydrolase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5N1X
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![BU of 5n1x by Molmil](/molmil-images/mine/5n1x) | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | Descriptor: | B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | Deposit date: | 2017-02-06 | Release date: | 2017-05-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J. Med. Chem., 60, 2017
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6CGM
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1BDD
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![BU of 1bdd by Molmil](/molmil-images/mine/1bdd) | STAPHYLOCOCCUS AUREUS PROTEIN A, IMMUNOGLOBULIN-BINDING B DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | STAPHYLOCOCCUS AUREUS PROTEIN A | Authors: | Gouda, H, Torigoe, H, Saito, A, Sato, M, Arata, Y, Shimada, I. | Deposit date: | 1996-06-28 | Release date: | 1997-01-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of the B domain of staphylococcal protein A: comparisons of the solution and crystal structures. Biochemistry, 31, 1992
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6T0S
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![BU of 6t0s by Molmil](/molmil-images/mine/6t0s) | Bat Influenza A polymerase stuttering complex using 44-mer vRNA template with intact oligo(U) sequence | Descriptor: | MAGNESIUM ION, Polymerase acidic protein, Polymerase basic protein 2, ... | Authors: | Wandzik, J.M, Kouba, T, Cusack, S. | Deposit date: | 2019-10-03 | Release date: | 2020-04-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase. Cell, 181, 2020
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6T0N
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![BU of 6t0n by Molmil](/molmil-images/mine/6t0n) | Bat Influenza A polymerase pre-initiation complex | Descriptor: | 3' vRNA, 5' vRNA, MAGNESIUM ION, ... | Authors: | Wandzik, J.M, Kouba, T, Cusack, S. | Deposit date: | 2019-10-03 | Release date: | 2020-04-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase. Cell, 181, 2020
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5XPL
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![BU of 5xpl by Molmil](/molmil-images/mine/5xpl) | Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3 | Descriptor: | (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one, Nuclear receptor coactivator 2, Vitamin D3 receptor | Authors: | Kato, A, Itoh, T, Yamamoto, K. | Deposit date: | 2017-06-03 | Release date: | 2018-06-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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5XPM
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![BU of 5xpm by Molmil](/molmil-images/mine/5xpm) | Crystal structure of VDR-LBD complexed with 22S-Butyl-25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3 | Descriptor: | (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},3~{S})-3-[(3~{S})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | Authors: | Kato, A, Itoh, T, Yamamoto, K. | Deposit date: | 2017-06-03 | Release date: | 2018-06-06 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action J. Med. Chem., 60, 2017
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1K8A
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![BU of 1k8a by Molmil](/molmil-images/mine/1k8a) | Co-crystal structure of Carbomycin A bound to the 50S ribosomal subunit of Haloarcula marismortui | Descriptor: | 23S RRNA, 5S RRNA, CADMIUM ION, ... | Authors: | Hansen, J.L, Ippolito, J.A, Ban, N, Nissen, P, Moore, P.B, Steitz, T. | Deposit date: | 2001-10-23 | Release date: | 2002-07-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structures of four macrolide antibiotics bound to the large ribosomal subunit. Mol.Cell, 10, 2002
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6CGN
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6CIQ
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1D9K
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![BU of 1d9k by Molmil](/molmil-images/mine/1d9k) | CRYSTAL STRUCTURE OF COMPLEX BETWEEN D10 TCR AND PMHC I-AK/CA | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CONALBUMIN PEPTIDE, ... | Authors: | Reinherz, E.L, Tan, K, Tang, L, Kern, P, Liu, J.-H, Xiong, Y, Hussey, R.E, Smolyar, A, Hare, B, Zhang, R, Joachimiak, A, Chang, H.-C, Wagner, G, Wang, J.-H. | Deposit date: | 1999-10-28 | Release date: | 1999-12-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The crystal structure of a T cell receptor in complex with peptide and MHC class II. Science, 286, 1999
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6MUJ
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![BU of 6muj by Molmil](/molmil-images/mine/6muj) | Formylglycine generating enzyme bound to copper | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, COPPER (II) ION, ... | Authors: | Lafrance-Vanasse, J, Appel, M.J, Tsai, C.-L, Bertozzi, C, Tainer, J.A. | Deposit date: | 2018-10-23 | Release date: | 2019-02-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Formylglycine-generating enzyme binds substrate directly at a mononuclear Cu(I) center to initiate O2activation. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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3ZUM
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![BU of 3zum by Molmil](/molmil-images/mine/3zum) | Photosynthetic Reaction Centre Mutant with Phe L146 replaced with Ala | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | Authors: | Gibasiewicz, K, Pajzderska, M, Potter, J.A, Fyfe, P.K, Dobek, A, Brettel, K, Jones, M.R. | Deposit date: | 2011-07-19 | Release date: | 2011-11-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanism of Recombination of the P(+)H(A)(-) Radical Pair in Mutant Rhodobacter Sphaeroides Reaction Centers with Modified Free Energy Gaps between P(+)B(A)(-) and P(+)H(A)(-). J Phys Chem B, 115, 2011
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3ZVV
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![BU of 3zvv by Molmil](/molmil-images/mine/3zvv) | Fragment Bound to PI3Kinase gamma | Descriptor: | 5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | Authors: | Hughes, S.J, Milan, D.S, Kilty, I.C, Lewthwaite, R.A, Mathias, J.P, O'Reilly, M.A, Phelan, A, Baldock, D.A, Brown, D.G. | Deposit date: | 2011-07-27 | Release date: | 2011-09-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Fragment based discovery of a novel and selective PI3 kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
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6D0N
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![BU of 6d0n by Molmil](/molmil-images/mine/6d0n) | Crystal structure of a CLC-type fluoride/proton antiporter, V319G mutant | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, CLC-type fluoride/proton antiporter, DECYL-BETA-D-MALTOPYRANOSIDE, ... | Authors: | Last, N.B, Stockbridge, R.B, Wilson, A.E, Shane, T, Kolmakova-Partensky, L, Koide, A, Koide, S, Miller, C. | Deposit date: | 2018-04-10 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | A CLC-type F-/H+antiporter in ion-swapped conformations. Nat. Struct. Mol. Biol., 25, 2018
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