8PA3
 
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2500 | | Descriptor: | 7-[(1~{S})-1-[4-(2-azanylethyl)phenoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-07 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2500
To Be Published
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8PAL
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2651 | | Descriptor: | 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-08 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2651
To Be Published
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8PB0
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2696 | | Descriptor: | 7-[(1~{S})-1-[4-[[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]methyl]-1,2,3-triazol-1-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-08 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2696
To Be Published
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8OLV
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+ and ARN25850 | | Descriptor: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC intron, ... | | Authors: | Silvestri, I, Marcia, M. | | Deposit date: | 2023-03-30 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
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8PAA
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2552 | | Descriptor: | 7-[(1~{S})-1-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-07 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2552
To Be Published
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8PAM
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2652 | | Descriptor: | 7-[(1~{R})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-08 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2652
To Be Published
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8OLS
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8OLW
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8OMJ
 | | hKHK-C in complex with compound 28 | | Descriptor: | Ketohexokinase, SULFATE ION, [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid | | Authors: | Pautsch, A, Ebenhoch, R. | | Deposit date: | 2023-03-31 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.978 Å) | | Cite: | Discovery of BI-9787, a Potent Zwitterionic KHK-Inhibitor with Oral Bioavailability
To Be Published
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8OQM
 | | Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-10 | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase, 6-[(6-azanyl-4-oxidanyl-naphthalen-2-yl)sulfonylamino]-4-oxidanyl-naphthalene-2-sulfonic acid, 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid, ... | | Authors: | Dalwani, S, Wierenga, R.K, Venkatesan, R. | | Deposit date: | 2023-04-12 | | Release date: | 2024-01-24 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them.
Acta Crystallogr D Struct Biol, 80, 2024
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8PDE
 | | Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC4 deacetylase binding motif | | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), HDAC4 (histone deacetylase 4) binding motif peptide:GSGEVKMKLQEFVLNKK, ... | | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | Deposit date: | 2023-06-12 | | Release date: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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8PDJ
 | | The phosphatase and C2 domains of SHIP1 with covalent Z56948267 | | Descriptor: | 4-azanyl-3-fluoranyl-benzenethiol, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | | Authors: | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | | Deposit date: | 2023-06-12 | | Release date: | 2023-06-28 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
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8PDH
 | | The phosphatase and C2 domains of SHIP1 with covalent Z1742148362 | | Descriptor: | (5-phenyl-1,3,4-oxadiazol-2-yl)methanimine, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Bradshaw, W.J, Moreira, T, Pascoa, T.C, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | | Deposit date: | 2023-06-12 | | Release date: | 2023-06-28 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
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8PDG
 | | The phosphatase and C2 domains of SHIP1 with covalent Z2738285202 | | Descriptor: | DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1, ~{N}-(8-chloranylquinolin-2-yl)propanamide | | Authors: | Bradshaw, W.J, Moreira, T, Scacioc, A, Bountra, C, Chalk, R, von Delft, F, Brennan, P.E, Gileadi, O. | | Deposit date: | 2023-06-12 | | Release date: | 2023-06-28 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 32, 2024
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8PE9
 | | Complex between DDR1 DS-like domain and PRTH-101 Fab | | Descriptor: | 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, CALCIUM ION, ... | | Authors: | Liu, J, Chiang, H, Xiong, W, Laurent, V, Griffiths, S.C, Duelfer, J, Deng, H, Sun, X, Yin, Y.W, Li, W, Audoly, L.P, An, Z, Schuerpf, T, Li, R, Zhang, N. | | Deposit date: | 2023-06-13 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.152 Å) | | Cite: | A highly selective humanized DDR1 mAb reverses immune exclusion by disrupting collagen fiber alignment in breast cancer.
J Immunother Cancer, 11, 2023
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8PFC
 | | Crystal structure of binary complex between Aster yellows witches'-broom phytoplasma effector SAP05 and the zinc finger domain of SPL5 from Arabidopsis thaliana | | Descriptor: | Sequence-variable mosaic (SVM) signal sequence domain-containing protein, Squamosa promoter-binding-like protein 5, ZINC ION | | Authors: | Huang, W, Liu, Q, Maqbool, A, Stevenson, C.E.M, Lawson, D.M, Kamoun, S, Hogenhout, S.A. | | Deposit date: | 2023-06-15 | | Release date: | 2023-07-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Bimodular architecture of bacterial effector SAP05 that drives ubiquitin-independent targeted protein degradation.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8PII
 | | VHH Z70 mutant 3 in interaction with PHF6 Tau peptide | | Descriptor: | Microtubule-associated protein tau, VHH Z70 Mutant 3 | | Authors: | Dupre, E, Mortelecque, J, NGuyen, M, Hanoulle, X, Landrieu, I. | | Deposit date: | 2023-06-21 | | Release date: | 2023-07-05 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A selection and optimization strategy for single-domain antibodies targeting the PHF6 linear peptide within the tau intrinsically disordered protein.
J.Biol.Chem., 300, 2024
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8PKY
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8PIF
 | | Fragment 12 in complex with KLHDC2 | | Descriptor: | 1,2-ETHANEDIOL, 2-(furan-3-yl)ethanoic acid, Kelch domain-containing protein 2 | | Authors: | Boettcher, J, Mayer, M. | | Deposit date: | 2023-06-21 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.782 Å) | | Cite: | KLHDC2 - The Next Level
To Be Published
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8PI2
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6P5T
 | | Surface-layer (S-layer) RsaA protein from Caulobacter crescentus bound to strontium and iodide | | Descriptor: | IODIDE ION, S-layer protein, STRONTIUM ION | | Authors: | Chan, A.C, Herrmann, J, Smit, J, Wakatsuki, S, Murphy, M.E. | | Deposit date: | 2019-05-30 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A bacterial surface layer protein exploits multistep crystallization for rapid self-assembly.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6EKW
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6APD
 | | Crystal structure of RSV F bound by AM22 and the infant antibody ADI-19425 | | Descriptor: | AM22 Fab Heavy Chain,IGH@ protein, AM22 Fab Light Chain,Uncharacterized protein, Fusion glycoprotein F0,Envelope glycoprotein, ... | | Authors: | Wrapp, D, McLellan, J.S. | | Deposit date: | 2017-08-17 | | Release date: | 2018-03-21 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (4.1 Å) | | Cite: | Infants Infected with Respiratory Syncytial Virus Generate Potent Neutralizing Antibodies that Lack Somatic Hypermutation.
Immunity, 48, 2018
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7YRE
 | | Crystal structure of a bright green fluorescent protein (StayGold) with triple mutations (N137A, Q140S, Y187F) in jellyfish Cytaeis uchidae from Biortus | | Descriptor: | 1,2-ETHANEDIOL, staygold(N137A,Q140S,Y187F) | | Authors: | Wu, J, Wang, F, Gui, W, Cheng, W, Yang, Y. | | Deposit date: | 2022-08-09 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a bright green fluorescent protein (StayGold) with triple mutations (N137A, Q140S, Y187F) in jellyfish Cytaeis uchidae from Biortus
To Be Published
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7ON8
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