8SHG
 
 | | CCT G beta 5 complex closed state 9 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Guanine nucleotide-binding protein subunit beta-5, ... | | Authors: | Wang, S, Sass, M, Willardson, B.M, Shen, P.S. | | Deposit date: | 2023-04-14 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
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8VHM
 | | Structure of DHODH in Complex with Fragment 2 | | Descriptor: | ACETATE ION, CHLORIDE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-01-02 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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8VHL
 | | Structure of DHODH in Complex with Ligand 17 | | Descriptor: | ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-01-02 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Discovery of Alternative Binding Poses through Fragment-Based Identification of DHODH Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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4ZJI
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7N2L
 | | MicroED structure of a mutant mammalian prion segment | | Descriptor: | prion protein | | Authors: | Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (0.9 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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7N2K
 | | MicroED structure of sequence variant of repeat segment of the yeast prion New1p phased by ARCIMBOLDO-BORGES | | Descriptor: | prion New1p | | Authors: | Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.301 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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7N2H
 | | X-Ray structure of a sequence variant of a repeat segment of the yeast prion New1p | | Descriptor: | prion New1p | | Authors: | Richards, L.S, Flores, M.D, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.102 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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7N2G
 | | MicroED structure of human CPEB3 segment(154-161) kinked polymorph phased by ARCIMBOLDO-BORGES | | Descriptor: | CPEB3 | | Authors: | Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.201 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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7N2J
 | | MicroED structure of a mutant mammalian prion segment phased by ARCIMBOLDO-BORGES | | Descriptor: | prion protein | | Authors: | Richards, L.S, Flores, M.D, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.5 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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7N2F
 | | MicroED structure of human CPEB3 segment (154-161) straight polymorph phased by ARCIMBOLDO-BORGES | | Descriptor: | CPEB3 | | Authors: | Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.2 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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7N2D
 | | MicroED structure of human zinc finger protein 292 segment (534-542) phased by ARCIMBOLDO-BORGES | | Descriptor: | DIMETHYL SULFOXIDE, zinc finger protein 292 | | Authors: | Richards, L.S, Flores, M.D, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-28 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.503 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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7N2E
 | | MicroED structure of human CPEB3 segment (154-161) straight polymorph | | Descriptor: | CPEB3 | | Authors: | Flores, M.D, Richards, L.S, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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7N2I
 | | MicroED structure of human LECT2 (45-53) phased by ARCIMBOLDO-BORGES | | Descriptor: | LECT2 | | Authors: | Richards, L.S, Flores, M.D, Zee, C.T, Glynn, C, Gallagher-Jones, M, Sawaya, M.R. | | Deposit date: | 2021-05-29 | | Release date: | 2022-06-01 | | Last modified: | 2024-05-22 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.402 Å) | | Cite: | Fragment-Based Ab Initio Phasing of Peptidic Nanocrystals by MicroED.
Acs Bio Med Chem Au, 3, 2023
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5L3A
 | | Fragment-based discovery of 6-arylindazole JAK inhibitors | | Descriptor: | Tyrosine-protein kinase JAK2, ~{N}-(1~{H}-indazol-4-yl)methanesulfonamide | | Authors: | Soerensen, M.D, Dack, K.N, Greve, D.R, Ritzen, A. | | Deposit date: | 2016-04-06 | | Release date: | 2016-04-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Fragment-Based Discovery of 6-Arylindazole JAK Inhibitors.
Acs Med.Chem.Lett., 7, 2016
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4YNE
 | | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | | Descriptor: | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ... | | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | | Deposit date: | 2015-03-09 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.0229 Å) | | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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6I3I
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8OR3
 | | CAND1-CUL1-RBX1-SKP1-SKP2-DCNL1 | | Descriptor: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, DCN1-like protein 1, ... | | Authors: | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | | Deposit date: | 2023-04-13 | | Release date: | 2023-06-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
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8OR4
 | | Partially dissociated CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2 | | Descriptor: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ... | | Authors: | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | | Deposit date: | 2023-04-13 | | Release date: | 2023-06-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
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8OR0
 | | CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2 | | Descriptor: | Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ... | | Authors: | Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
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4XUI
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6OMN
 | | Glycosylated BMP2 homodimer | | Descriptor: | Bone morphogenetic protein 2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Juo, Z.S, Seeherman, H. | | Deposit date: | 2019-04-19 | | Release date: | 2019-05-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | A BMP/activin A chimera is superior to native BMPs and induces bone repair in nonhuman primates when delivered in a composite matrix.
Sci Transl Med, 11, 2019
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4ANB
 | | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | | Descriptor: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | | Deposit date: | 2012-03-16 | | Release date: | 2012-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
Acs Med.Chem.Lett., 3, 2012
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4AN2
 | | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | | Descriptor: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | | Deposit date: | 2012-03-14 | | Release date: | 2012-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
Acs Med.Chem.Lett., 3, 2012
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4AN3
 | | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, ... | | Authors: | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | | Deposit date: | 2012-03-15 | | Release date: | 2012-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
Acs Med.Chem.Lett., 3, 2012
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5K9C
 | | Crystal structure of human dihydroorotate dehydrogenase with ML390 | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Lewis, T.A, Sykes, D.B, Law, J.M, Munoz, B, Scadden, D.T, Rustiguel, J.K, Nonato, M.C, Schreiber, S.L. | | Deposit date: | 2016-05-31 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
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