6UDI
 
 | | X-ray co-crystal structure of compound 20 with Mcl-1 | | Descriptor: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X, Whittington, D. | | Deposit date: | 2019-09-19 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
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6UDY
 | | X-ray co-crystal structure of compound 5 with Mcl-1 | | Descriptor: | (3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X. | | Deposit date: | 2019-09-19 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
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7LGS
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6UDX
 | | X-ray co-crystal structure of compound 7 with Mcl-1 | | Descriptor: | (2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X. | | Deposit date: | 2019-09-19 | | Release date: | 2019-12-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
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6SS5
 | | Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0020187 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | | Deposit date: | 2019-09-06 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Extensive sequence and structural evolution of Arginase 2 inhibitory antibodies enabled by an unbiased approach to affinity maturation.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3N82
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3N80
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8IHM
 | | Eaf3 CHD domain bound to the nucleosome | | Descriptor: | Chromatin modification-related protein EAF3, DNA (164-MER), DNA (165-MER), ... | | Authors: | Zhang, Y, Gang, C. | | Deposit date: | 2023-02-23 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme.
Cell Res., 33, 2023
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8IHN
 | | Cryo-EM structure of the Rpd3S core complex | | Descriptor: | CALCIUM ION, Chromatin modification-related protein EAF3, Histone H3, ... | | Authors: | Zhang, Y, Gang, C. | | Deposit date: | 2023-02-23 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme.
Cell Res., 33, 2023
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8IHT
 | | Rpd3S bound to the nucleosome | | Descriptor: | CALCIUM ION, Chromatin modification-related protein EAF3, DNA (164-MER), ... | | Authors: | Zhang, Y, Gang, C. | | Deposit date: | 2023-02-23 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Structural basis for nucleosome binding and catalysis by the yeast Rpd3S/HDAC holoenzyme.
Cell Res., 33, 2023
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2VU4
 | | Structure of PsbP protein from Spinacia oleracea at 1.98 A resolution | | Descriptor: | OXYGEN-EVOLVING ENHANCER PROTEIN 2, ZINC ION | | Authors: | Lapkouski, M, Ristvejova, R, Arellano, J.B, Revuelta, J.L, Kuta Smatanova, I, Ettrich, R. | | Deposit date: | 2008-05-21 | | Release date: | 2009-07-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Raman Spectroscopy Adds Complementary Detail to the High-Resolution X-Ray Crystal Structure of Photosynthetic Psbp from Spinacia Oleracea.
Plos One, 7, 2012
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6SRX
 | | Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021158 | | Descriptor: | ACETATE ION, CHLORIDE ION, Fab C0021158 heavy chain (IgG1), ... | | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | | Deposit date: | 2019-09-06 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
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6SRV
 | | Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021144 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M. | | Deposit date: | 2019-09-06 | | Release date: | 2020-06-10 | | Last modified: | 2020-09-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
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8J5Z
 | | The cryo-EM structure of the TwOSC1 tetramer | | Descriptor: | Terpene cyclase/mutase family member, octyl beta-D-glucopyranoside | | Authors: | Ma, X, Yuru, T, Yunfeng, L, Jiang, T. | | Deposit date: | 2023-04-24 | | Release date: | 2023-11-01 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (4.75 Å) | | Cite: | Structural and Catalytic Insight into the Unique Pentacyclic Triterpene Synthase TwOSC.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8JGF
 | | CryoEM structure of Gq-coupled MRGPRX1 with peptide agonist BAM8-22 | | Descriptor: | BAM8-22, 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: | Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | | Deposit date: | 2023-05-20 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
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8JGG
 | | CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist BAM8-22 | | Descriptor: | BAM8-22, 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: | Sun, J.P, Xu, H.E, Ynag, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | | Deposit date: | 2023-05-20 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
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8JGB
 | | CryoEM structure of Gi-coupled MRGPRX1 with peptide agonist CNF-Tx2 | | Descriptor: | Conorfamide-Tx2, 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: | Sun, J.P, Xu, H.E, Yang, F, Liu, Z.M, Guo, L.L, Zhang, Y.M, Fang, G.X, Tie, L, Zhuang, Y.M, Xue, C.Y. | | Deposit date: | 2023-05-20 | | Release date: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Ligand recognition and G protein coupling of the human itch receptor MRGPRX1.
Nat Commun, 14, 2023
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6UDT
 | | X-ray co-crystal structure of compound 10 bound to human Mcl-1 | | Descriptor: | (4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X, Whittington, D. | | Deposit date: | 2019-09-19 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
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6UDU
 | | X-ray co-crystal structure of compound 8 bound to human Mcl-1 | | Descriptor: | (4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X, Whittington, D. | | Deposit date: | 2019-09-19 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
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6UDV
 | | X-ray co-crystal structure of compound 3 bound to human Mcl-1 | | Descriptor: | (4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Huang, X, Whittington, D. | | Deposit date: | 2019-09-19 | | Release date: | 2019-12-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Discovery and in Vivo Evaluation of Macrocyclic Mcl-1 Inhibitors Featuring an alpha-Hydroxy Phenylacetic Acid Pharmacophore or Bioisostere.
J.Med.Chem., 62, 2019
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7V3O
 | | The structure of Se-SoBcmB with Fe(II)and AKG | | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, FE (II) ION, ... | | Authors: | Wu, L, Zhou, J.H. | | Deposit date: | 2021-08-10 | | Release date: | 2023-02-15 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.83004665 Å) | | Cite: | Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis
Nat Catal, 6, 2023
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5FVI
 | | Structure of IrisFP in mineral grease at 100 K. | | Descriptor: | Green to red photoconvertible GFP-like protein EosFP, SULFATE ION | | Authors: | Colletier, J.P, Gallat, F.X, Coquelle, N, Weik, M. | | Deposit date: | 2016-02-07 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.397 Å) | | Cite: | Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein Irisfp.
J.Phys.Chem.Lett., 7, 2016
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5FVF
 | | Room temperature structure of IrisFP determined by serial femtosecond crystallography. | | Descriptor: | AMMONIUM ION, Green to red photoconvertible GFP-like protein EosFP, SULFATE ION | | Authors: | Colletier, J.P, Gallat, F.X, Coquelle, N, Weik, M. | | Deposit date: | 2016-02-06 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein Irisfp.
J.Phys.Chem.Lett., 7, 2016
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3N83
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6IS4
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