6QZ7
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![BU of 6qz7 by Molmil](/molmil-images/mine/6qz7) | Structure of MBP-Mcl-1 in complex with compound 8b | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-11 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6EJ7
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7RXP
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7RXI
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8BEX
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![BU of 8bex by Molmil](/molmil-images/mine/8bex) | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein at pH 3 | Descriptor: | Cry49Aa protein | Authors: | Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R. | Deposit date: | 2022-10-22 | Release date: | 2023-11-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX. Proc.Natl.Acad.Sci.USA, 120, 2023
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5ESV
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![BU of 5esv by Molmil](/molmil-images/mine/5esv) | Crystal Structure of Broadly Neutralizing Antibody CH03, Isolated from Donor CH0219, in Complex with Scaffolded Trimeric HIV-1 Env V1V2 Domain from the Clade C Superinfecting Strain of Donor CAP256. | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase,Envelope glycoprotein gp160, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gorman, J, Yang, M, Kwong, P.D. | Deposit date: | 2015-11-17 | Release date: | 2015-12-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.105 Å) | Cite: | Structures of HIV-1 Env V1V2 with broadly neutralizing antibodies reveal commonalities that enable vaccine design. Nat.Struct.Mol.Biol., 23, 2016
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8SMU
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![BU of 8smu by Molmil](/molmil-images/mine/8smu) | Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP | Descriptor: | CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ... | Authors: | Mahoney, B.J, Cascio, D, Clubb, R.T. | Deposit date: | 2023-04-26 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens. J.Inorg.Biochem., 249, 2023
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8BEZ
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![BU of 8bez by Molmil](/molmil-images/mine/8bez) | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein at pH 11 | Descriptor: | Cry49Aa protein | Authors: | Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R. | Deposit date: | 2022-10-22 | Release date: | 2023-11-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX. Proc.Natl.Acad.Sci.USA, 120, 2023
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6M7M
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![BU of 6m7m by Molmil](/molmil-images/mine/6m7m) | rac-GSTSTA from degenerate octameric repeats in InaZ, residues 707-712 | Descriptor: | L-GSTSTA from ice nucleation protein, inaZ, and its enantiomer, ... | Authors: | Zee, C, Glynn, C, Gallagher-Jones, M, Miao, J, Santiago, C.G, Cascio, D, Gonen, T, Sawaya, M.R, Rodriguez, J.A. | Deposit date: | 2018-08-20 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ. IUCrJ, 6, 2019
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6QXJ
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![BU of 6qxj by Molmil](/molmil-images/mine/6qxj) | Structure of MBP-Mcl-1 in complex with compound 6a | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-07 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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7ONE
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![BU of 7one by Molmil](/molmil-images/mine/7one) | Crystal structure of the self-assembled SAKe6BE designer protein | Descriptor: | SAKe6BE | Authors: | Wouters, S.M.L, Noguchi, H, Velpula, G, Clarke, D.E, Voet, A.R.D, De Feyter, S. | Deposit date: | 2021-05-25 | Release date: | 2022-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies To be published
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6M7Z
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![BU of 6m7z by Molmil](/molmil-images/mine/6m7z) | A divergent kinase lacking the glycine-rich loop regulates membrane ultrastructure of the Toxoplasma parasitophorous vacuole | Descriptor: | 1,2-ETHANEDIOL, Bradyzoite pseudokinase 1, CHLORIDE ION | Authors: | Beraki, T, Borek, D.M, Reese, M.L. | Deposit date: | 2018-08-21 | Release date: | 2018-10-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Divergent kinase regulates membrane ultrastructure of theToxoplasmaparasitophorous vacuole. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8SYE
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![BU of 8sye by Molmil](/molmil-images/mine/8sye) | X-ray crystal structure of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N variant in the presence of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid and UDP at pH 6 | Descriptor: | (2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid, CHLORIDE ION, UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase, ... | Authors: | Jast, J.D.T, Thoden, J.B, Holden, H.M. | Deposit date: | 2023-05-25 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis. J.Biol.Chem., 299, 2023
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7ONC
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![BU of 7onc by Molmil](/molmil-images/mine/7onc) | Crystal structure of the computationally designed SAKe6BE protein | Descriptor: | SAKe6BE | Authors: | Wouters, S.M.L, Noguchi, H, Velpula, G, Clarke, D.E, Voet, A.R.D, De Feyter, S. | Deposit date: | 2021-05-25 | Release date: | 2022-12-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies To be published
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7RXJ
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7RXL
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7S0X
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7AE7
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![BU of 7ae7 by Molmil](/molmil-images/mine/7ae7) | |
6M5P
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![BU of 6m5p by Molmil](/molmil-images/mine/6m5p) | A class C beta-lactamase | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase | Authors: | Bae, D.W, Jung, Y.E, Cha, S.S. | Deposit date: | 2020-03-11 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Novel inhibition mechanism of carbapenems on the ACC-1 class C beta-lactamase. Arch.Biochem.Biophys., 693, 2020
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8SYH
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![BU of 8syh by Molmil](/molmil-images/mine/8syh) | X-ray crystal structure of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N variant in the presence of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid and UDP at pH 8 | Descriptor: | (2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid, CHLORIDE ION, UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase, ... | Authors: | Jast, J.D.T, Thoden, J.B, Holden, H.M. | Deposit date: | 2023-05-25 | Release date: | 2023-09-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural analysis of a bacterial UDP-sugar 2-epimerase reveals the active site architecture before and after catalysis. J.Biol.Chem., 299, 2023
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6O7T
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![BU of 6o7t by Molmil](/molmil-images/mine/6o7t) | Saccharomyces cerevisiae V-ATPase Vph1-VO | Descriptor: | Putative protein YPR170W-B, V-type proton ATPase subunit a, vacuolar isoform, ... | Authors: | Vasanthakumar, T, Bueler, S.A, Wu, D, Beilsten-Edmands, V, Robinson, C.V, Rubinstein, J.L. | Deposit date: | 2019-03-08 | Release date: | 2019-04-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structural comparison of the vacuolar and Golgi V-ATPases fromSaccharomyces cerevisiae. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6M80
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![BU of 6m80 by Molmil](/molmil-images/mine/6m80) | Collagen peptide containing aza-proline and aza-glycine | Descriptor: | 1,2-ETHANEDIOL, Collagen peptide containing aza-proline and aza-glycine, SULFATE ION | Authors: | Chenoweth, D.M, Kasznel, A.J, Porter, N.J. | Deposit date: | 2018-08-21 | Release date: | 2019-07-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Aza-proline effectively mimics l-proline stereochemistry in triple helical collagen. Chem Sci, 10, 2019
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7AA5
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![BU of 7aa5 by Molmil](/molmil-images/mine/7aa5) | Human TRPV4 structure in presence of 4a-PDD | Descriptor: | CALCIUM ION, Transient receptor potential cation channel subfamily V member 4,Green fluorescent protein | Authors: | Botte, M, Ulrich, A.K.G, Adaixo, R, Gnutt, D, Brockmann, A, Bucher, D, Chami, M, Bocquet, M, Ebbinghaus-Kintscher, U, Puetter, V, Becker, A, Egner, U, Stahlberg, H, Hennig, M, Holton, S.J. | Deposit date: | 2020-09-03 | Release date: | 2021-08-18 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.18 Å) | Cite: | Cryo-EM structural studies of the agonist complexed human TRPV4 ion-channel reveals novel structural rearrangements resulting in an open-conformation To Be Published
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8T8Q
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![BU of 8t8q by Molmil](/molmil-images/mine/8t8q) | Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors | Descriptor: | 1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Tang, Y, Nguyen, V, Wilbur, J.D. | Deposit date: | 2023-06-23 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
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7PD5
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![BU of 7pd5 by Molmil](/molmil-images/mine/7pd5) | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-AMINOBENZOIC ACID, CHLORIDE ION, ... | Authors: | Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | Deposit date: | 2021-08-04 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid To Be Published
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