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6FLG
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BU of 6flg by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3(S)-(naphthylthio)succinyl-CPS1 peptide
Descriptor: 1,2-ETHANEDIOL, 3(S)-(naphthylthio)succinyl-CPS1 peptide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Pannek, M, Steegborn, C.
Deposit date:2018-01-25
Release date:2018-04-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
6FKZ
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BU of 6fkz by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-(phenylthio)succinyl-CPS1 peptide
Descriptor: 3(R)-(phenylthio)succinyl-CPS1 peptide, 3(S)-(phenylthio)succinyl-CPS1 peptide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Pannek, M, Steegborn, C.
Deposit date:2018-01-25
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
6ZU2
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BU of 6zu2 by Molmil
CML1 crystal structure in complex with H-type 1 trisaccharide
Descriptor: Mucin-binding lectin 1, SULFATE ION, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Varrot, A, Bleuler-Martinez, S.
Deposit date:2020-07-21
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity.
Glycobiology, 32, 2022
6ZV5
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BU of 6zv5 by Molmil
CML1 crystal structure in complex with Lewis a tetrasaccharide
Descriptor: Mucin-binding lectin 1, SULFATE ION, beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Varrot, A, Bleuler-Martinez, S.
Deposit date:2020-07-24
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-function relationship of a novel fucoside-binding fruiting body lectin from Coprinopsis cinerea exhibiting nematotoxic activity.
Glycobiology, 32, 2022
6FKY
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BU of 6fky by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with 3-(benzylthio)succinyl-CPS1 peptide
Descriptor: (2~{R})-2-(phenylmethylsulfanyl)butanedioic acid, (2~{S})-2-(phenylmethylsulfanyl)butanedioic acid, 1,2-ETHANEDIOL, ...
Authors:Pannek, M, Steegborn, C.
Deposit date:2018-01-25
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Potent and Selective Inhibitors of Human Sirtuin 5.
J. Med. Chem., 61, 2018
6DCE
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BU of 6dce by Molmil
X-ray structure of FIP200 claw domain
Descriptor: RB1-inducible coiled-coil protein 1, SULFATE ION
Authors:Su, M.-Y, Hurley, J.H.
Deposit date:2018-05-05
Release date:2019-03-06
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:FIP200 Claw Domain Binding to p62 Promotes Autophagosome Formation at Ubiquitin Condensates.
Mol. Cell, 74, 2019
6YAU
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BU of 6yau by Molmil
CRYSTAL STRUCTURE OF ASGPR 1 IN COMPLEX WITH GN-A.
Descriptor: 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide, Asialoglycoprotein receptor 1, CALCIUM ION
Authors:Schreuder, H.A, Liesum, A.
Deposit date:2020-03-13
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.397 Å)
Cite:Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
6YG9
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BU of 6yg9 by Molmil
CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07.
Descriptor: 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid, MYRISTIC ACID, Serum albumin
Authors:Schreuder, H.A, Liesum, A.
Deposit date:2020-03-27
Release date:2021-01-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
6VNW
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BU of 6vnw by Molmil
Cryo-EM structure of apo-BBSome
Descriptor: BBS1 domain-containing protein, Bardet-Biedl syndrome 18 protein, Bardet-Biedl syndrome 2 protein homolog, ...
Authors:Yang, S, Walz, T, Nachury, M, Chou, H.
Deposit date:2020-01-29
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Near-atomic structures of the BBSome reveal the basis for BBSome activation and binding to GPCR cargoes.
Elife, 9, 2020
8TXY
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BU of 8txy by Molmil
X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera
Descriptor: DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ...
Authors:Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M.
Deposit date:2023-08-24
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
4TTY
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BU of 4tty by Molmil
N-terminal domain of C. Reinhardtii SAS-6 homolog bld12p G94D F145W Q147R (NN25)
Descriptor: Centriole protein
Authors:Hilbert, M, Kraatz, S.H.W.
Deposit date:2014-06-23
Release date:2015-07-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:SAS-6 engineering reveals interdependence between cartwheel and microtubules in determining centriole architecture.
Nat.Cell Biol., 18, 2016
4U2I
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BU of 4u2i by Molmil
N-terminal domain of C. Rheinhardtii SAS-6 homolog bld12p Q93E G94D K146R Q147R (NN23)
Descriptor: Centriole protein
Authors:Hilbert, M, Kraatz, S.H.W.
Deposit date:2014-07-17
Release date:2015-07-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:SAS-6 engineering reveals interdependence between cartwheel and microtubules in determining centriole architecture.
Nat.Cell Biol., 18, 2016
7NHT
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BU of 7nht by Molmil
Akirin2 bound human proteasome
Descriptor: Akirin-2, POTASSIUM ION, Proteasome subunit alpha type-1, ...
Authors:Singh, K, Brunner, H, Grishkovskaya, I, de Almeida, M, Hinterndorfer, M, Zuber, J, Haselbach, D.
Deposit date:2021-02-11
Release date:2021-09-01
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:AKIRIN2 controls the nuclear import of proteasomes in vertebrates.
Nature, 599, 2021
8POI
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BU of 8poi by Molmil
Molecular Docking of SPF30 Tudor domain with synthetic inhibitor 4-(pyridin-2-yl)thiazol-2-amine
Descriptor: 4-pyridin-2-yl-1,3-thiazol-2-amine, Survival of motor neuron-related-splicing factor 30
Authors:Borggraefe, J, Gaussmann, S, Sattler, M.
Deposit date:2023-07-04
Release date:2023-08-23
Last modified:2023-08-30
Method:SOLUTION NMR
Cite:Pharmacological perturbation of the phase-separating protein SMNDC1.
Nat Commun, 14, 2023
5LBT
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BU of 5lbt by Molmil
Structure of the human quinone reductase 2 (NQO2) in complex with imiquimod
Descriptor: 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Schneider, S, Gross, O.
Deposit date:2016-06-17
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Imiquimod Inhibits Mitochondrial Complex I and Induces K+ efflux-independent Nlrp3 Inflammasome Activation via Nek7
To Be Published
5LBU
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BU of 5lbu by Molmil
Structure of the human quinone reductase 2 (NQO2) in complex with to CL097
Descriptor: 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Schneider, S, Gross, O.
Deposit date:2016-06-17
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Imiquimod Inhibits Mitochondrial Complex I and Induces K+ efflux-independent Nlrp3 Inflammasome Activation via Nek7
To Be Published
5LX1
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BU of 5lx1 by Molmil
Cys-Gly dipeptidase GliJ mutant D304A
Descriptor: Dipeptidase, FE (III) ION, GLYCEROL
Authors:Huber, E.M, Groll, M.
Deposit date:2016-09-19
Release date:2017-05-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
8OWZ
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BU of 8owz by Molmil
Crystal structure of human Sirt2 in complex with a triazole-based SirReal
Descriptor: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide, ...
Authors:Friedrich, F, Zhang, L, Schiedel, M, Einsle, O, Jung, M.
Deposit date:2023-04-28
Release date:2023-11-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation.
J.Med.Chem., 66, 2023
6YUV
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BU of 6yuv by Molmil
Capsule O-acetyltransferase of Neisseria meningitidis serogroup A
Descriptor: CHLORIDE ION, SacC, TRIETHYLENE GLYCOL
Authors:Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M.
Deposit date:2020-04-27
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A.
Nat Commun, 11, 2020
6YUQ
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BU of 6yuq by Molmil
Capsule O-acetyltransferase of Neisseria meningitidis serogroup A in complex with polysaccharide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose, 2-acetamido-2-deoxy-alpha-D-mannopyranose, ...
Authors:Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M.
Deposit date:2020-04-27
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A.
Nat Commun, 11, 2020
5LX7
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BU of 5lx7 by Molmil
Cys-Gly dipeptidase GliJ mutant D38N
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dipeptidase, FE (III) ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2016-09-20
Release date:2017-05-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5LX0
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BU of 5lx0 by Molmil
Cys-Gly dipeptidase GliJ (space group P3221)
Descriptor: Dipeptidase, FE (III) ION
Authors:Huber, E.M, Groll, M.
Deposit date:2016-09-19
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5LX4
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BU of 5lx4 by Molmil
Cys-Gly dipeptidase GliJ mutant D38H
Descriptor: Dipeptidase, FE (III) ION, GLYCEROL
Authors:Huber, E.M, Groll, M.
Deposit date:2016-09-20
Release date:2017-05-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
6XU3
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BU of 6xu3 by Molmil
(R)-selective amine transaminase from Shinella sp.
Descriptor: 3-AMINOBENZOIC ACID, CHLORIDE ION, Class IV aminotransferase, ...
Authors:Telzerow, A, Hakansson, M, Steiner, K.
Deposit date:2020-01-17
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Expanding the Toolbox of R-Selective Amine Transaminases by Identification and Characterization of New Members.
Chembiochem, 22, 2021
6SRU
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BU of 6sru by Molmil
Structure of Ig-like V-type domian of mouse Programmed cell death 1 ligand 1 (PD-L1)
Descriptor: Programmed cell death 1 ligand 1
Authors:Magiera-Mularz, K, Sala, D, Grudnik, P, Holak, T.A.
Deposit date:2019-09-06
Release date:2021-02-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.532 Å)
Cite:Human and mouse PD-L1: similar molecular structure, but different druggability profiles.
Iscience, 24, 2021

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數據於2024-11-06公開中

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