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5BPA
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BU of 5bpa by Molmil
X-RAY Co-structure of MMP-13 with 4-[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}formamido)methyl]benzoate
Descriptor: 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid, CALCIUM ION, Collagenase 3, ...
Authors:Farrow, N.A, Margarit, S.M.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5BOT
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BU of 5bot by Molmil
X-RAY Co-structure of MMP-13 with ethyl 5-carbamoyl-1H-indole-2-carboxylate
Descriptor: CALCIUM ION, Collagenase 3, ZINC ION, ...
Authors:Farrow, N.A, Padyana, A.K.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
6IMX
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BU of 6imx by Molmil
Crystal structure of V30M mutated transthyretin in complex with 18-Crown-6
Descriptor: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Transthyretin
Authors:Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M.
Deposit date:2018-10-24
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Crown Ethers as Transthyretin Amyloidogenesis Inhibitors.
J. Med. Chem., 62, 2019
7RKE
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BU of 7rke by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-(((2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino)methyl)phenol and GRIP Peptide
Descriptor: 4-{[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Joiner, C, Sammeta, V.K.R, Norris, J.D, McDonnell, D.P, Willson, T.M, Fanning, S.W.
Deposit date:2021-07-22
Release date:2022-06-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3- d ]pyrimidine Core.
Acs Med.Chem.Lett., 13, 2022
5K9D
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BU of 5k9d by Molmil
Crystal structure of human dihydroorotate dehydrogenase at 1.7 A resolution
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 (1.7 Å)
Cite:Development of ML390: A Human DHODH Inhibitor That Induces Differentiation in Acute Myeloid Leukemia.
ACS Med Chem Lett, 7, 2016
4YPS
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BU of 4yps by Molmil
(R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors
Descriptor: 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION
Authors:Kreusch, A, Rucker, P, Molteni, V, Loren, J.
Deposit date:2015-03-13
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1012 Å)
Cite:(R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
7S1N
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BU of 7s1n by Molmil
N-Aromatic-Substituted Indazole Derivatives as Brain Penetrant and Orally Bioavailable JNK3 Inhibitors
Descriptor: 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide, Mitogen-activated protein kinase 10
Authors:Park, H.
Deposit date:2021-09-02
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:N -Aromatic-Substituted Indazole Derivatives as Brain-Penetrant and Orally Bioavailable JNK3 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7KMB
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BU of 7kmb by Molmil
ACE2-RBD Focused Refinement Using Symmetry Expansion of Applied C3 for Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 7.4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-11-02
Release date:2020-12-09
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
4ZJJ
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BU of 4zjj by Molmil
PAK1 in complex with (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
Descriptor: (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1
Authors:Gutmann, S, Rummel, G.
Deposit date:2015-04-29
Release date:2015-06-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
4ZLO
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BU of 4zlo by Molmil
Serine/threonine-protein kinase PAK1 complexed with a dibenzodiazepine: identification of an allosteric site on PAK1
Descriptor: 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, GLYCEROL, Serine/threonine-protein kinase PAK 1
Authors:Bellamacina, C.R, Bussiere, D.E.
Deposit date:2015-05-01
Release date:2015-08-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
8SHP
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BU of 8shp by Molmil
CCT G beta 5 complex closed state 13
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 (3 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SHD
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BU of 8shd by Molmil
CCT G beta 5 complex closed state 10
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:2023-04-13
Release date:2023-10-25
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SGL
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BU of 8sgl by Molmil
CCT G beta 5 complex closed state 15
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:2023-04-12
Release date:2023-10-25
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SHA
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BU of 8sha by Molmil
CCT-G beta 5 complex closed state 4
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:2023-04-13
Release date:2023-10-25
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SHO
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BU of 8sho by Molmil
CCT G beta 5 complex close state 11
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 (3 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SHE
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BU of 8she by Molmil
CCT-G beta 5 complex closed state 8
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:2023-04-13
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
8SHL
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BU of 8shl by Molmil
CCT G beta 5 complex closed state 5
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 (3 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SFF
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BU of 8sff by Molmil
CCT G beta 5 complex closed state 0
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
Authors:Wang, S, Sass, M, Willardson, B.M, Shen, P.S.
Deposit date:2023-04-11
Release date:2023-10-25
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SH9
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BU of 8sh9 by Molmil
CCT G beta 5 complex best PhLP1 class
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:2023-04-13
Release date:2023-10-25
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SHT
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BU of 8sht by Molmil
CCT G beta 5 complex closed state 14
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 (3 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SHF
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BU of 8shf by Molmil
CCT-G beta 5 complex closed state 7
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:2023-11-01
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SGC
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BU of 8sgc by Molmil
CCT G beta 5 complex closed state 2
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:2023-04-12
Release date:2023-10-25
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SHN
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BU of 8shn by Molmil
CCT-G beta 5 complex closed state 6
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
8SG9
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BU of 8sg9 by Molmil
CCT G beta 5 complex closed state 3
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:2023-04-12
Release date:2023-10-25
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023
8SHQ
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BU of 8shq by Molmil
CCT G beta 5 complex closed state 12
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 (2.9 Å)
Cite:Visualizing the chaperone-mediated folding trajectory of the G protein beta 5 beta-propeller.
Mol.Cell, 83, 2023

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