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6MRV
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BU of 6mrv by Molmil
Sialidase26 co-crystallized with DANA
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Sialidase26
Authors:Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K.
Deposit date:2018-10-15
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
6MNJ
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BU of 6mnj by Molmil
Hadza microbial sialidase Hz136
Descriptor: Hz136
Authors:Rees, S.D, Zaramela, L, Zengler, K, Chang, G.
Deposit date:2018-10-01
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
6ZNW
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BU of 6znw by Molmil
Methanosaeta concilii ATP citrate lyase (D541A mutant) in complex with (3S)-citryl-CoA.
Descriptor: (3S)-citryl-Coenzyme A, CITRATE ANION, Citrate lyase, ...
Authors:Verschueren, K.H.G, Verstraete, K.
Deposit date:2020-07-06
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.121 Å)
Cite:Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase.
Nat.Struct.Mol.Biol., 28, 2021
6DHH
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BU of 6dhh by Molmil
RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
6DHG
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BU of 6dhg by Molmil
RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
6E5G
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BU of 6e5g by Molmil
Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric regulator
Descriptor: 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one, Transcriptional enhancer factor TEF-4
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.O.
Deposit date:2018-07-20
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Small-Molecule Covalent Modification of Conserved Cysteine Leads to Allosteric Inhibition of the TEAD⋅Yap Protein-Protein Interaction.
Cell Chem Biol, 26, 2019
6DHO
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BU of 6dho by Molmil
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.07 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
Deposit date:2018-05-20
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
8G9B
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BU of 8g9b by Molmil
Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ...
Authors:O'Neill, A.G, Kollman, J.M.
Deposit date:2023-02-21
Release date:2023-04-19
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
8G8F
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BU of 8g8f by Molmil
Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ...
Authors:O'Neill, A.G, Kollman, J.M.
Deposit date:2023-02-17
Release date:2023-04-19
Last modified:2023-08-09
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation.
J.Biol.Chem., 299, 2023
6XR3
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BU of 6xr3 by Molmil
X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
Descriptor: 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Anson, B, Ghosh, A.K, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-10
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
To Be Published
1SEN
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BU of 1sen by Molmil
Endoplasmic reticulum protein Rp19 O95881
Descriptor: CHLORIDE ION, PLATINUM (II) ION, Thioredoxin-like protein p19
Authors:Liu, Z.-J, Chen, L, Tempel, W, Shah, A, Lee, D, Dailey, T.A, Mayer, M.R, Rose, J.P, Richardson, D.C, Richardson, J.S, Dailey, H.A, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-02-17
Release date:2004-07-13
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.199 Å)
Cite:Endoplasmic reticulum protein Rp19
To be Published
8QZO
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BU of 8qzo by Molmil
Crystal structure of heterodimeric complex of CdpB1 and CdpB2 from A. fulgidus
Descriptor: PRC-barrel domain-containing protein
Authors:Ciziene, D, Bellini, D, Lowe, J.
Deposit date:2023-10-27
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Proteins containing photosynthetic reaction centre domains modulate FtsZ-based archaeal cell division.
Nat Microbiol, 9, 2024
8QU4
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BU of 8qu4 by Molmil
NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker in an alternative binding pose
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ...
Authors:Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
Deposit date:2023-10-13
Release date:2024-03-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8QU3
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BU of 8qu3 by Molmil
NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ...
Authors:Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
Deposit date:2023-10-13
Release date:2024-03-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8QU2
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BU of 8qu2 by Molmil
NF-YB/C Heterodimer in Complex with a 16-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ...
Authors:Durukan, C, Arbore, F, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
Deposit date:2023-10-13
Release date:2024-03-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8R15
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BU of 8r15 by Molmil
Crystal structure of Fusarium oxysporum NADase I
Descriptor: GLYCEROL, TNT domain-containing protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Kallio, J.P, Ferrario, E, Stromland, O, Ziegler, M.
Deposit date:2023-11-01
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evolution of fungal tuberculosis necrotizing toxin (TNT) domain-containing enzymes reveals divergent adaptations to enhance NAD cleavage.
Protein Sci., 33, 2024
6PW8
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BU of 6pw8 by Molmil
Hydrocarbon-Stapled Paxillin Peptide Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
Descriptor: CHLORIDE ION, Focal adhesion kinase 1, SP3, ...
Authors:Thifault, D.G, Fromme, P, Martin-Garcia, J.M.
Deposit date:2019-07-22
Release date:2020-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Stapled Peptide Ligand Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
To Be Published
6RPP
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BU of 6rpp by Molmil
Crystal structure of PabCDC21-1 intein
Descriptor: ACETATE ION, Cell division control protein, DI(HYDROXYETHYL)ETHER
Authors:Mikula, K.M, Beyer, H.M, Iwai, H.
Deposit date:2019-05-14
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site.
Extremophiles, 23, 2019
6RPQ
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BU of 6rpq by Molmil
Crystal structure of PhoCDC21-1 intein
Descriptor: Ubiquitin-like protein SMT3,1108aa long hypothetical cell division control protein
Authors:Beyer, H.M, Mikula, K.M, Iwai, H.
Deposit date:2019-05-14
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.654 Å)
Cite:Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site.
Extremophiles, 23, 2019
1JI8
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BU of 1ji8 by Molmil
Solution Structure of Pyrobaculum Aerophilum DsrC/gamma subunit of dissimilatory sulfite reductase
Descriptor: dissimilatory siroheme-sulfite reductase
Authors:Cort, J.R, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2001-06-29
Release date:2001-12-05
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of Pyrobaculum aerophilum DsrC, an archaeal homologue of the gamma subunit of dissimilatory sulfite reductase.
Eur.J.Biochem., 268, 2001
9EM1
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BU of 9em1 by Molmil
Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone and phosphate
Descriptor: 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, Chronophin, GLYCEROL, ...
Authors:Brenner, M, Gohla, A, Schindelin, H.
Deposit date:2024-03-07
Release date:2024-06-12
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024
6PEW
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BU of 6pew by Molmil
CryoEM Plasmodium falciparum glutamine synthetase
Descriptor: Glutamine synthetase
Authors:Ho, C.M, Lai, M, Zhou, Z.H.
Deposit date:2019-06-21
Release date:2019-12-11
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Bottom-up structural proteomics: cryoEM of protein complexes enriched from the cellular milieu.
Nat.Methods, 17, 2020
7AYG
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BU of 7ayg by Molmil
oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ...
Authors:Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J.
Deposit date:2020-11-12
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
7B2E
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BU of 7b2e by Molmil
quadruple mutant of oxalyl-CoA decarboxylase from Methylorubrum extorquens with bound TPP and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative oxalyl-CoA decarboxylase (Oxc, ...
Authors:Pfister, P, Burgener, S, Nattermann, M, Zarzycki, J, Erb, T.J.
Deposit date:2020-11-26
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering a Highly Efficient Carboligase for Synthetic One-Carbon Metabolism.
Acs Catalysis, 11, 2021
8C3P
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BU of 8c3p by Molmil
Crystal structure of autotaxin gamma in complex with LPA 18:1
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 7alpha-hydroxycholesterol, CALCIUM ION, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2022-12-28
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023

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