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7PPG
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BU of 7ppg by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 9
Descriptor: 1,2-ETHANEDIOL, N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Hillig, R.C.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7PV1
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BU of 7pv1 by Molmil
Crystal structure of the dimeric mitofilin domain of Mic60 in complex with the CHCH domain of Mic19
Descriptor: MICOS complex subunit MIC60 fused to MIC19, TETRAETHYLENE GLYCOL
Authors:Funck, K, Bock-Bierbaum, T, Daumke, O.
Deposit date:2021-10-01
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:Structural insights into crista junction formation by the Mic60-Mic19 complex.
Sci Adv, 8, 2022
7PUZ
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BU of 7puz by Molmil
Crystal structure of the Mic60 coiled coil domain
Descriptor: MICOS complex subunit MIC60
Authors:Bock-Bierbaum, T, Funck, K, Daumke, O.
Deposit date:2021-10-01
Release date:2022-09-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.842 Å)
Cite:Structural insights into crista junction formation by the Mic60-Mic19 complex.
Sci Adv, 8, 2022
6ZLW
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BU of 6zlw by Molmil
SARS-CoV-2 Nsp1 bound to the human 40S ribosomal subunit
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-01
Release date:2020-07-29
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
8FWI
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BU of 8fwi by Molmil
Structure of dodecameric KaiC-RS-S413E/S414E solved by cryo-EM
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiC, ...
Authors:Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D.
Deposit date:2023-01-22
Release date:2023-03-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:From primordial clocks to circadian oscillators.
Nature, 616, 2023
8FWJ
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BU of 8fwj by Molmil
Structure of dodecameric KaiC-RS-S413E/S414E complexed with KaiB-RS solved by cryo-EM
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein KaiB, ...
Authors:Padua, R.A.P, Grant, T, Pitsawong, W, Hoemberger, M.S, Otten, R, Bradshaw, N, Grigorieff, N, Kern, D.
Deposit date:2023-01-22
Release date:2023-03-22
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:From primordial clocks to circadian oscillators.
Nature, 616, 2023
8B1P
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BU of 8b1p by Molmil
Crystal structure of SUDV VP40 CCS mutant
Descriptor: Matrix protein VP40
Authors:Werner, A.-D, Becker, S.
Deposit date:2022-09-11
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
8B1O
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BU of 8b1o by Molmil
Crystal structure of SUDV VP40 C314S mutant
Descriptor: Matrix protein VP40
Authors:Werner, A.-D, Becker, S.
Deposit date:2022-09-11
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
8AW0
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BU of 8aw0 by Molmil
Crystal structure of PksD, the trans-acting acyl hydrolase domain from the bacillaene trans-AT PKS (native)
Descriptor: Polyketide biosynthesis acyltransferase homolog PksD, ZINC ION
Authors:Fage, C.D, Challis, G.L, Lewandowski, J, Jenner, M.
Deposit date:2022-08-28
Release date:2023-08-09
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for acyl hydrolysis in trans-AT polyketide synthases
To Be Published
8AVZ
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BU of 8avz by Molmil
Crystal structure of PksD, the trans-acting acyl hydrolase domain from the bacillaene trans-AT PKS (SeMet derivative)
Descriptor: Polyketide biosynthesis acyltransferase homolog PksD, ZINC ION
Authors:Fage, C.D, Challis, G.L, Lewandowski, J, Jenner, M.
Deposit date:2022-08-28
Release date:2023-08-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural basis for acyl hydrolysis in trans-AT polyketide synthases
To Be Published
7S5Q
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BU of 7s5q by Molmil
Crystal structure of SARS-CoV-2 B.1.351 variant receptor binding domain in complex with neutralizing antibodies CS44 and COVA1-16
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 Heavy chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2021-09-11
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies.
Science, 375, 2022
7S5P
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BU of 7s5p by Molmil
Crystal structure of SARS-CoV-2 B.1.351 variant receptor binding domain in complex with neutralizing antibody CS23
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CS23 Heavy chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2021-09-11
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies.
Science, 375, 2022
7S5R
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BU of 7s5r by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibodies CV07-287 and COVA1-16
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 Heavy chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2021-09-11
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:SARS-CoV-2 Beta variant infection elicits potent lineage-specific and cross-reactive antibodies.
Science, 375, 2022
5MZK
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BU of 5mzk by Molmil
Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
Descriptor: 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Rowland, P.
Deposit date:2017-01-31
Release date:2017-04-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
J. Med. Chem., 60, 2017
6RZV
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BU of 6rzv by Molmil
Structure of s-Mgm1 decorating the inner surface of tubulated lipid membranes
Descriptor: Putative mitochondrial dynamin protein
Authors:Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuelbrandt, W, Daumke, O.
Deposit date:2019-06-13
Release date:2019-07-24
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (20.6 Å)
Cite:Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
5FHV
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BU of 5fhv by Molmil
Crystal structure of mCherry after reaction with 2-mercaptoethanol
Descriptor: BETA-MERCAPTOETHANOL, HEXAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
Authors:De Zitter, E, Dedecker, P, Van Meervelt, L.
Deposit date:2015-12-22
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Efficient switching of mCherry fluorescence using chemical caging.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6RZW
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BU of 6rzw by Molmil
Structure of s-Mgm1 decorating the inner surface of tubulated lipid membranes in the GTPgammaS bound state
Descriptor: Putative mitochondrial dynamin protein
Authors:Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuelbrandt, W, Daumke, O.
Deposit date:2019-06-13
Release date:2019-07-24
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (18.799999 Å)
Cite:Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
5NFP
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BU of 5nfp by Molmil
Glucocorticoid Receptor in complex with budesonide
Descriptor: (1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S},13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosa-14,17-dien-16-one, 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
Authors:Edman, K, Wissler, L.
Deposit date:2017-03-15
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.
J. Med. Chem., 60, 2017
5NFT
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BU of 5nft by Molmil
Glucocorticoid Receptor in complex with AZD5423
Descriptor: 1,2-ETHANEDIOL, 2,2,2-tris(fluoranyl)-~{N}-[(1~{R},2~{S})-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]ethanamide, Glucocorticoid receptor, ...
Authors:Edman, K, Wissler, L.
Deposit date:2017-03-15
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases.
J. Med. Chem., 60, 2017
6RZU
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BU of 6rzu by Molmil
Structure of s-Mgm1 decorating the outer surface of tubulated lipid membranes in the GTPgammaS bound state
Descriptor: Putative mitochondrial dynamin protein
Authors:Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuelbrandt, W, Daumke, O.
Deposit date:2019-06-13
Release date:2019-07-24
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (14.7 Å)
Cite:Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
6RZT
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BU of 6rzt by Molmil
Structure of s-Mgm1 decorating the outer surface of tubulated lipid membranes
Descriptor: Putative mitochondrial dynamin protein
Authors:Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuehlbrandt, W, Daumke, O.
Deposit date:2019-06-13
Release date:2019-07-24
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (14.7 Å)
Cite:Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1.
Nature, 571, 2019
7BGH
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BU of 7bgh by Molmil
Solution structure of the chloroplast outer envelope channel OEP21
Descriptor: Outer envelope pore protein 21, chloroplastic
Authors:Hagn, F, Haeusler, E.
Deposit date:2021-01-07
Release date:2022-01-19
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural basis of metabolite transport by the chloroplast outer envelope channel OEP21.
Nat.Struct.Mol.Biol., 2023
4I6H
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BU of 4i6h by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce alpha-Synuclein Phosphorylation in Rat Brain
Descriptor: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-4-yl)-1H-imidazol-1-yl]-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
Authors:Pan, H.
Deposit date:2012-11-29
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce alpha-Synuclein Phosphorylation in Rat Brain
Chemmedchem, 8, 2013
4I5P
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BU of 4i5p by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
Descriptor: (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1H-pyrrol-2-yl)-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
Authors:Aubele, D.L, Hom, R.K, Adler, M, Galemmo Jr, R.A, Bowers, S, Truong, A.P, Pan, H, Beroza, P.
Deposit date:2012-11-28
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.738 Å)
Cite:Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013
4I6B
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BU of 4i6b by Molmil
Selective & Brain-Permeable Polo-like Kinase-2 (Plk-2) Inhibitors that Reduce -Synuclein Phosphorylation in Rat Brain
Descriptor: (7R)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one, Serine/threonine-protein kinase PLK2
Authors:Pan, H.
Deposit date:2012-11-29
Release date:2013-11-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce alpha-synuclein phosphorylation in rat brain.
Chemmedchem, 8, 2013

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