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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
8C3O
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BU of 8c3o by Molmil
Crystal structure of autotaxin gamma and compound MEY-003
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2022-12-27
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C4W
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BU of 8c4w by Molmil
Crystal structure of rat autotaxin and compound MEY-002
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one, 7alpha-hydroxycholesterol, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2023-01-05
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C3T
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BU of 8c3t by Molmil
Structure of the GIsul2 transposon excisionase
Descriptor: AlpA family phage regulatory protein
Authors:Smyshlyaev, G, Arinkin, V, Barabas, O.
Deposit date:2022-12-28
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Cryo-EM structures of transposon end complexes explain antibiotic resistance transfer across diverse bacteria
To Be Published
8CD8
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BU of 8cd8 by Molmil
Ulilysin - C269A with AEBSF complex
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CALCIUM ION, GLY-SER-SER, ...
Authors:Rodriguez-Banqueri, A, Eckhard, U, Gomis-Ruth, F.X.
Deposit date:2023-01-30
Release date:2023-03-22
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into latency of the metallopeptidase ulilysin (lysargiNase) and its unexpected inhibition by a sulfonyl-fluoride inhibitor of serine peptidases.
Dalton Trans, 52, 2023
8C7R
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BU of 8c7r by Molmil
Crystal structure of rat autotaxin and compound MEY-003
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2023-01-17
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8D86
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BU of 8d86 by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence co-crystallized with a guest small molecule, netropsin.
Descriptor: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Snow, C.D.
Deposit date:2022-06-07
Release date:2023-06-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
8D8M
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BU of 8d8m by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence grown in a calcium chloride crystallization solution.
Descriptor: CALCIUM ION, DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3'), DNA (5'-D(GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*A)-3'), ...
Authors:Orun, A.R, Snow, C.D.
Deposit date:2022-06-08
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Designed crystalline assemblies of protein and DNA enable site-specific installation of a guest protein, DNA, and small molecule.
To Be Published
8DAF
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BU of 8daf by Molmil
Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid
Descriptor: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ...
Authors:D'Agostino, E.H, Cato, M.L, Ortlund, E.A.
Deposit date:2022-06-13
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023
8BRX
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BU of 8brx by Molmil
Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C complexed with beta-3-methionine
Descriptor: (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, Methionine--tRNA ligase, ...
Authors:Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T.
Deposit date:2022-11-24
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments.
Protein Sci., 32, 2023
8CEM
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BU of 8cem by Molmil
Structure of bovine native C3, re-refinement
Descriptor: Complement C3 alpha chain, Complement C3 beta chain, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Andersen, G.R, Fredslund, F.
Deposit date:2023-02-02
Release date:2023-04-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:The structure of bovine complement component 3 reveals the basis for thioester function.
J Mol Biol, 361, 2006
3CEY
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BU of 3cey by Molmil
Crystal structure of L3MBTL2
Descriptor: Lethal(3)malignant brain tumor-like 2 protein
Authors:Nady, N, Guo, Y, Pan, P, Allali-Hassani, A, Qi, C, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Bochkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2008-02-29
Release date:2008-05-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
3F70
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BU of 3f70 by Molmil
Crystal structure of L3MBTL2-H4K20me1 complex
Descriptor: Lethal(3)malignant brain tumor-like 2 protein, N-METHYL-LYSINE
Authors:Guo, Y, Qi, C, Allali-Hassani, A, Pan, P, Zhu, H, Dong, A, Mackenzie, F, Crombet, L, Loppnau, P, Kozieradzki, I, Vedadi, M, Edwards, A.M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Botchkarev, A, Read, R, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2008-11-07
Release date:2009-01-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Nucleic Acids Res., 37, 2009
1OWM
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BU of 1owm by Molmil
DATA1:DNA photolyase / received X-rays dose 1.2 exp15 photons/mm2
Descriptor: Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:2003-03-28
Release date:2004-04-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction.
Acta Crystallogr.,Sect.D, 60, 2004
1OWN
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BU of 1own by Molmil
DATA3:DNA photolyase / received X-rays dose 4.8 exp15 photons/mm2
Descriptor: Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:2003-03-28
Release date:2004-04-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction.
Acta Crystallogr.,Sect.D, 60, 2004
1D7Z
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BU of 1d7z by Molmil
CRYSTAL STRUCTURE OF A HEXITOL NUCLEIC ACID (HNA) DUPLEX AT 2.2 A RESOLUTION
Descriptor: 5'-H(*(6HG)P*(6HT)P*(6HG)P*(6HT)P*(6HA)P*(6HC)P*(6HA)P*(6HC))-3'
Authors:Declercq, R, Van Meervelt, L.
Deposit date:1999-10-21
Release date:2002-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of double helical hexitol nucleic acids.
J.Am.Chem.Soc., 124, 2002
1N51
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BU of 1n51 by Molmil
Aminopeptidase P in complex with the inhibitor apstatin
Descriptor: MANGANESE (II) ION, Xaa-Pro aminopeptidase, apstatin
Authors:Graham, S.C, Maher, M.J, Lee, M.H, Simmons, W.H, Freeman, H.C, Guss, J.M.
Deposit date:2002-11-03
Release date:2003-12-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Escherichia coli aminopeptidase P in complex with the inhibitor apstatin.
Acta Crystallogr.,Sect.D, 60, 2004
1OWO
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BU of 1owo by Molmil
DATA4:photoreduced DNA photolyase / received X-rays dose 1.2 exp15 photons/mm2
Descriptor: Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:2003-03-28
Release date:2004-04-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction.
Acta Crystallogr.,Sect.D, 60, 2004
1OWL
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BU of 1owl by Molmil
Structure of apophotolyase from Anacystis nidulans
Descriptor: Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:2003-03-28
Release date:2004-04-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction.
Acta Crystallogr.,Sect.D, 60, 2004
1OWP
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BU of 1owp by Molmil
DATA6:photoreduced DNA pholyase / received X-rays dose 4.8 exp15 photons/mm2
Descriptor: Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION
Authors:Komori, H, Adachi, S, Miki, K, Eker, A, Kort, R.
Deposit date:2003-03-28
Release date:2004-04-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction.
Acta Crystallogr.,Sect.D, 60, 2004
7R7M
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BU of 7r7m by Molmil
Crystal structure of Triosephosphate isomerase from Candidate division Katanobacteria (WWE3) bacterium
Descriptor: PHOSPHATE ION, Triosephosphate isomerase
Authors:Vickers, C.J, Patrick, W.M, Fraga, D.
Deposit date:2021-06-24
Release date:2022-07-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of WweTPI - Candidate division WWE3
To Be Published
7SDP
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BU of 7sdp by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates.
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-09-29
Release date:2021-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
7SGC
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BU of 7sgc by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal five prime phosphates.
Descriptor: DNA (5'-D(P*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*G)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-10-05
Release date:2021-10-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7SPM
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BU of 7spm by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (30 mg/mL EDC, 12 hours, 2 doses).
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-11-02
Release date:2021-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Stabilizing DNA-Protein Co-Crystals via Intra-Crystal Chemical Ligation of the DNA
Crystals, 12, 2022
7SOZ
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BU of 7soz by Molmil
Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime phosphates chemically crosslinked (5 mg/mL EDC, 12 hours).
Descriptor: DNA (5'-D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)-3'), DNA (5'-D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)-3'), MAGNESIUM ION, ...
Authors:Ward, A.R, Snow, C.D.
Deposit date:2021-11-01
Release date:2021-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023

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