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6NFF
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BU of 6nff by Molmil
Structure of X-prolyl dipeptidyl aminopeptidase from Lactobacillus helveticus
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, PHOSPHATE ION, ...
Authors:Juers, D.H, Bratt, N.J, Ojennus, D.D.
Deposit date:2018-12-20
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of a prolyl aminodipeptidase (PepX) from Lactobacillus helveticus.
Acta Crystallogr.,Sect.F, 75, 2019
6NNY
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BU of 6nny by Molmil
Crystal Structure of the All-Trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39E:R59Y:L121E Mutant of Human Cellular Retinoic Acid Binding Protein II in the Dark at 1.67 Angstrom Resolution
Descriptor: Cellular retinoic acid-binding protein 2, RETINAL
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2019-01-15
Release date:2019-01-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.668 Å)
Cite:Crystal Structure of the All-Trans Retinal-Bound R111K:Y134F:T54V:R132Q:P39E:R59Y:L121E Mutant of Human Cellular Retinoic Acid Binding Protein II in the Dark at 1.68 Angstrom Resolution
To Be Published
6QC0
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BU of 6qc0 by Molmil
PCNA complex with Cdt2 C-terminal PIP-box peptide
Descriptor: Denticleless protein homolog, Proliferating cell nuclear antigen
Authors:Perrakis, A.P, von Castelmur, E.
Deposit date:2018-12-25
Release date:2019-01-23
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Direct binding of Cdt2 to PCNA is important for targeting the CRL4Cdt2E3 ligase activity to Cdt1.
Life Sci Alliance, 1, 2018
6QCG
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BU of 6qcg by Molmil
PCNA complex with Cdt1 N-terminal PIP-box peptide
Descriptor: DNA replication factor Cdt1, Proliferating cell nuclear antigen
Authors:Perrakis, A, von Castelmur, E.
Deposit date:2018-12-28
Release date:2019-01-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Direct binding of Cdt2 to PCNA is important for targeting the CRL4Cdt2E3 ligase activity to Cdt1.
Life Sci Alliance, 1, 2018
8VVJ
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BU of 8vvj by Molmil
Structure of S. odontolytica ZTP riboswitch bound to m-1-pyridinyl-AICA
Descriptor: (1M)-5-amino-1-(1,8-naphthyridin-3-yl)-1H-imidazole-4-carboxamide, MAGNESIUM ION, RNA (64-MER)
Authors:Jones, C.P, Ferre D'Amare, A.R.
Deposit date:2024-01-31
Release date:2025-06-11
Last modified:2025-08-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Machine Learning-Augmented Molecular Dynamics Simulations (MD) Reveal Insights Into the Disconnect Between Affinity and Activation of ZTP Riboswitch Ligands.
Angew.Chem.Int.Ed.Engl., 64, 2025
8SZ2
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BU of 8sz2 by Molmil
Stx2A1 bound to P8 stalk peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, NONAETHYLENE GLYCOL, ...
Authors:rudolph, M.J, Li, X.P.
Deposit date:2023-05-26
Release date:2024-05-29
Last modified:2024-12-11
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure-Function Analysis of the A1 Subunit of Shiga Toxin 2 with Peptides That Target the P-Stalk Binding Site and Inhibit Activity.
Biochemistry, 63, 2024
6NYO
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BU of 6nyo by Molmil
Crystal structure of a human Cdc34-ubiquitin thioester mimetic
Descriptor: 1,2-ETHANEDIOL, 4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-L-arabinonic acid, PHOSPHATE ION, ...
Authors:Olsen, S.K, Williams, K.M, Atkison, J.H.
Deposit date:2019-02-11
Release date:2019-08-07
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Structural insights into E1 recognition and the ubiquitin-conjugating activity of the E2 enzyme Cdc34.
Nat Commun, 10, 2019
8RCZ
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BU of 8rcz by Molmil
Structure of the enoyl-ACP reductase FabV from Pseudomonas aeruginosa with NADH cofactor
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Vandebroek, L, Van Olmen, F, Voet, A.R.D, Verwilst, P.
Deposit date:2023-12-07
Release date:2024-12-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of the enoyl-ACP reductase FabV from Pseudomonas aeruginosa with NADH cofactor
To Be Published
6O8C
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BU of 6o8c by Molmil
Crystal structure of STING CTT in complex with TBK1
Descriptor: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein
Authors:Li, P, Zhao, B, Du, F.
Deposit date:2019-03-09
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
6O8B
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BU of 6o8b by Molmil
Crystal structure of STING CTD in complex with TBK1
Descriptor: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1, Stimulator of interferon genes protein
Authors:Li, P, Zhao, B, Du, F.
Deposit date:2019-03-09
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:A conserved PLPLRT/SD motif of STING mediates the recruitment and activation of TBK1.
Nature, 569, 2019
6OCA
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BU of 6oca by Molmil
Ricin A chain bound to VHH antibody V2G10
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Ricin A chain, ...
Authors:Rudolph, M.J.
Deposit date:2019-03-22
Release date:2020-04-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site.
J.Mol.Biol., 432, 2020
6OD4
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BU of 6od4 by Molmil
Human TCF4 C-terminal bHLH domain in Complex with 11-bp Oligonucleotide Containing E-box Sequence
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*CP*AP*CP*GP*TP*GP*TP*A)-3'), Transcription factor 4
Authors:Horton, J.R, Cheng, X, Yang, J.
Deposit date:2019-03-25
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 47, 2019
6QNI
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BU of 6qni by Molmil
Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 1.0 s timepoint
Descriptor: COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ...
Authors:Mehrabi, P, Schulz, E.C, Miller, R.J.D.
Deposit date:2019-02-11
Release date:2019-10-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.846 Å)
Cite:Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
6OJD
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BU of 6ojd by Molmil
A high-resolution crystal structure of covalent complex of NocB thioesterase domain with fluorophosphonate nocardicin G analog
Descriptor: (R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid, CALCIUM ION, GLYCEROL, ...
Authors:Patel, K.D, Gulick, A.M.
Deposit date:2019-04-11
Release date:2019-09-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure of a bound peptide phosphonate reveals the mechanism of nocardicin bifunctional thioesterase epimerase-hydrolase half-reactions.
Nat Commun, 10, 2019
6QV7
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BU of 6qv7 by Molmil
Crystal structure of a CHAD domain from Chlorobium tepidum
Descriptor: 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, SULFATE ION, ...
Authors:Lorenzo-Orts, L, Hothorn, M.
Deposit date:2019-03-01
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Molecular characterization of CHAD domains as inorganic polyphosphate-binding modules.
Life Sci Alliance, 2, 2019
6O39
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BU of 6o39 by Molmil
Crystal structure of Frizzled 5 CRD in complex with F2.I Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Raman, S, Beilschmidt, M, Fransson, J, Julien, J.P.
Deposit date:2019-02-26
Release date:2019-04-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided design fine-tunes pharmacokinetics, tolerability, and antitumor profile of multispecific frizzled antibodies.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
7RTE
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BU of 7rte by Molmil
X-ray structure of wild type RBPJ-L3MBTL3-DNA complex
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*CP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), ...
Authors:Hall, D.P, Kovall, R.A, Yuan, Z.
Deposit date:2021-08-13
Release date:2022-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The structure, binding and function of a Notch transcription complex involving RBPJ and the epigenetic reader protein L3MBTL3.
Nucleic Acids Res., 50, 2022
7PCM
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BU of 7pcm by Molmil
BurG (holo) in complex with (Z)-2,3-dihydroxy-6-methyl-hept-2-enoate (13): Biosynthesis of cyclopropanol rings in bacterial toxins
Descriptor: (Z)-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Ketol-acid reductoisomerase, ...
Authors:Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C.
Deposit date:2021-08-03
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
6WIT
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BU of 6wit by Molmil
Crystal structure of NHP D15.SD7 Fab in complex with 16055 V1V2 1FD6 scaffold
Descriptor: 16055 V1V2 1FD6 Scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, NHP GN1-SD7 Fab Heavy Chain, ...
Authors:Liban, T, Aljedani, S, Rodarte, J, Pancera, M.
Deposit date:2020-04-10
Release date:2021-04-14
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
6RB4
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BU of 6rb4 by Molmil
Crystal structure of the Pri1 subunit of human primase
Descriptor: 1,2-ETHANEDIOL, DNA primase small subunit, ZINC ION
Authors:Kilkenny, M.L, Pellegrini, L.
Deposit date:2019-04-09
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for Inhibition of Human Primase by Arabinofuranosyl Nucleoside Analogues Fludarabine and Vidarabine.
Acs Chem.Biol., 14, 2019
6OB6
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BU of 6ob6 by Molmil
Human equilibrative nucleoside transporter-1, S-(4-nitrobenzyl)-6-thioinosine bound, merohedrally twinned
Descriptor: 6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-D-ribofuranosyl-9H-purine, Equilibrative nucleoside transporter 1
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2019-03-19
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of human ENT1 in complex with adenosine reuptake inhibitors.
Nat.Struct.Mol.Biol., 26, 2019
6OBE
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BU of 6obe by Molmil
Ricin A chain bound to VHH antibody V6H8
Descriptor: 1,2-ETHANEDIOL, IMIDAZOLE, NICKEL (II) ION, ...
Authors:Rudolph, M.J.
Deposit date:2019-03-20
Release date:2020-04-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.732 Å)
Cite:Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site.
J.Mol.Biol., 432, 2020
6OBO
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BU of 6obo by Molmil
Ricin A chain bound to VHH antibody V6A6
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ...
Authors:Rudolph, M.J.
Deposit date:2019-03-21
Release date:2020-04-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Intracellular Neutralization of Ricin Toxin by Single-domain Antibodies Targeting the Active Site.
J.Mol.Biol., 432, 2020
7Q7Y
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BU of 7q7y by Molmil
Crystal structure of the methyltransferase-ribozyme 1 (1-benzyl-adenosine derivative)
Descriptor: GUANINE, MAGNESIUM ION, RNA 1, ...
Authors:Mieczkowski, M, Hoebartner, C.
Deposit date:2021-11-09
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and mechanism of the methyltransferase ribozyme MTR1.
Nat.Chem.Biol., 18, 2022
8SPE
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BU of 8spe by Molmil
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31
Descriptor: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, ...
Authors:Miller, M.S, Cowan, A.D, Colman, P.M, Czabotar, P.E.
Deposit date:2023-05-03
Release date:2023-12-27
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024

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