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7SSF
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BU of 7ssf by Molmil
Light harvesting phycobiliprotein HaPE560 from the cryptophyte Hemiselmis andersenii CCMP644
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DiCys-(15,16)-Dihydrobiliverdin, ...
Authors:Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G.
Deposit date:2021-11-10
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii
Commun Biol, 2023
7SUT
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BU of 7sut by Molmil
Light harvesting phycobiliprotein HaPE645 from the cryptophyte Hemiselmis andersenii CCMP644
Descriptor: (15,16)-DIHYDROBILIVERDIN (SINGLY LINKED), 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G.
Deposit date:2021-11-18
Release date:2023-10-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii.
Commun Biol, 6, 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
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
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
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
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
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
8CR8
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BU of 8cr8 by Molmil
human Interleukin-23
Descriptor: Interleukin-12 subunit beta, Interleukin-23 subunit alpha, TERBIUM(III) ION, ...
Authors:Bloch, Y, Savvides, S.N.
Deposit date:2023-03-08
Release date:2024-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23.
Nat.Struct.Mol.Biol., 31, 2024
8CGA
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BU of 8cga by Molmil
Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Toth, Z.S, Benedek, A, Leveles, I, Vertessy, B.G.
Deposit date:2023-02-03
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant
To Be Published
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
8DTA
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BU of 8dta by Molmil
Metal sensitive GFP (mseGFP) complexed with phenylarsine oxide.
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ...
Authors:Rosenbaum, J.C, Carlson, A.E.
Deposit date:2022-07-25
Release date:2023-07-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Glutathione modulates metal binding to proteins.
TBD
8DSS
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BU of 8dss by Molmil
X-ray crystal structure of Geobacillus stearothermophilus ComEA
Descriptor: ComE operon protein 1
Authors:Ahmed, I, Neiditch, M.B.
Deposit date:2022-07-22
Release date:2022-12-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structure-function studies reveal ComEA contains an oligomerization domain essential for transformation in gram-positive bacteria.
Nat Commun, 13, 2022
8EB9
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BU of 8eb9 by Molmil
Crystal structure of SIX8 from Fusarium oxysporum f. sp. lycopersici
Descriptor: SULFATE ION, Secreted in xylem Six8
Authors:Yu, D.S, Ericsson, D.J, Williams, S.J.
Deposit date:2022-08-30
Release date:2023-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024
8EBB
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BU of 8ebb by Molmil
Crystal structure of SIX6 from Fusarium oxysporum f. sp. lycopersici
Descriptor: D(-)-TARTARIC ACID, Secreted in xylem Six6
Authors:Yu, D.S, Ericsson, D.J, Williams, S.J.
Deposit date:2022-08-30
Release date:2023-06-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies.
Elife, 12, 2024
8EE2
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BU of 8ee2 by Molmil
Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
Descriptor: CFTR inhibitory factor, Nanobody VHH219
Authors:Simard, A.R, Madden, D.R.
Deposit date:2022-09-06
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Nanobody VHH219 Bound to Its Antigen PA14 Cif
To Be Published
8E2N
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BU of 8e2n by Molmil
Crystal Structure of Nanobody VHH113 Specific for PA14 Cif
Descriptor: Nanobody VHH113
Authors:Simard, A.R, Madden, D.R.
Deposit date:2022-08-15
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structure of Nanobody VHH113 Specific for PA14 Cif
To Be Published
8EH1
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BU of 8eh1 by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Engineered tyrosine synthase (TmTyrS1), POTASSIUM ION, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Noncanonical L-tyrosine synthesis by evolved tryptophan synthases
To Be Published
8EH0
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BU of 8eh0 by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with quinoline N-oxide
Descriptor: 1,2-ETHANEDIOL, 1-oxo-1lambda~5~-quinoline, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Noncanonical L-tyrosine synthesis by evolved tryptophan synthases
To Be Published
8EGZ
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BU of 8egz by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate
Descriptor: 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, POTASSIUM ION, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Noncanonical L-tyrosine synthesis by evolved tryptophan synthases
To Be Published
8EUO
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BU of 8euo by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations
Descriptor: (S)-hydroxynitrile lyase
Authors:Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L.
Deposit date:2022-10-19
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:to be published
To Be Published
8F43
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BU of 8f43 by Molmil
HNH Nuclease Domain from G. stearothermophilus Cas9, K597A mutant
Descriptor: CRISPR-associated endonuclease Cas9
Authors:D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G.
Deposit date:2022-11-10
Release date:2022-12-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Disruption of electrostatic contacts in the HNH nuclease from a thermophilic Cas9 rewires allosteric motions and enhances high-temperature DNA cleavage.
J.Chem.Phys., 157, 2022

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