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8TIS
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BU of 8tis 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 with 1 sticky bases and 3' terminal phosphates.
Descriptor: 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'), 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)-')|, MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIQ
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BU of 8tiq 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 with blunt ends and 3' terminal phosphates.
Descriptor: 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(*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*GP*A)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and protein-DNA co-crystals
To Be Published
8TIW
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BU of 8tiw 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 with blunt ends and 3' terminal phosphates and crosslinked with EDC.
Descriptor: 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(*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*GP*A)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIT
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BU of 8tit 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 with 2 sticky base overhangs and no terminal phosphates.
Descriptor: 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*G)-3')|, DNA (5'-D(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*GP)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIV
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BU of 8tiv 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 with blunt ends and 5' terminal phosphates and crosslinked with EDC.
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*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*G)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIZ
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BU of 8tiz 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 with 2 sticky base overhangs and no terminal phosphates and crosslinked with EDC.
Descriptor: 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*G)-3')|, DNA (5'-D(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*GP)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TJ1
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BU of 8tj1 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 with 2 sticky base overhangs and 3' terminal phosphates and crosslinked with EDC.
Descriptor: 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*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*A)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TJ0
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BU of 8tj0 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 with 2 sticky base overhangs and 5' terminal phosphates and crosslinked with EDC.
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, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIP
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BU of 8tip 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 with blunt ends and 5' terminal phosphates.
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*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*G)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Slaughter, C.K, Shrestha, R, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8TIY
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BU of 8tiy 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 with 1 sticky bases and 3' terminal phosphates and crosslinked with EDC.
Descriptor: 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'), 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)-')|, MAGNESIUM ION, ...
Authors:Orun, A.R, Shields, E.T, Shrestha, R, Slaughter, C.K, Snow, C.D.
Deposit date:2023-07-20
Release date:2023-08-02
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Tuning chemical DNA ligation within DNA crystals and co-crystals.
To Be Published
8OV8
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BU of 8ov8 by Molmil
Crystal structure of Ene-reductase 1 from black poplar mushroom in complex to NADP
Descriptor: Ene-reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ...
Authors:Korf, L, Essen, L.-O, Karrer, D, Ruehl, M.
Deposit date:2023-04-25
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Shifting the substrate scope of an ene/yne-reductase by loop engineering
To Be Published
8OT2
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BU of 8ot2 by Molmil
Structural and functional studies of geldanamycin amide synthase ShGdmF
Descriptor: 1,2-ETHANEDIOL, 3-azanyl-5-methyl-phenol, ACETATE ION, ...
Authors:Ewert, W, Zeilinger, C, Kirschning, A, Preller, M.
Deposit date:2023-04-20
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
8PKC
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BU of 8pkc by Molmil
Structure of Api m1 in complex with the AM1-4 nanobody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM1-4 nanobody, Phospholipase A2
Authors:Aagaard, J.B, Gandini, R, Spillner, E, Miehe, M.
Deposit date:2023-06-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Nanobody-based IgG formats as blocking antibodies of the major honeybee venom allergen Api m 1
To be published
7SXM
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BU of 7sxm by Molmil
Structure of Xenon-derivatized Methyl-Coenzyme M Reductase from Methanothermobacter marburgensis
Descriptor: 1-THIOETHANESULFONIC ACID, ACETATE ION, Coenzyme B, ...
Authors:Chen, P.Y.-T, Drennan, C.L.
Deposit date:2021-11-23
Release date:2022-04-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:XFEL serial crystallography reveals the room temperature structure of methyl-coenzyme M reductase.
J.Inorg.Biochem., 230, 2022
7SUC
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BU of 7suc by Molmil
XFEL Serial Crystallography Reveals the Room Temperature Structure of Methyl-Coenzyme M Reductase
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
Authors:Ohmer, C.J, Dasgupta, M.
Deposit date:2021-11-16
Release date:2022-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:XFEL serial crystallography reveals the room temperature structure of methyl-coenzyme M reductase.
J.Inorg.Biochem., 230, 2022
9ARD
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BU of 9ard by Molmil
Structure of Pycsar EcPycC cyclase immunoglobulin-like AGS-C domain
Descriptor: Cytidylate cyclase
Authors:Richmond-Buccola, D, Kranzusch, P.J.
Deposit date:2024-02-23
Release date:2024-06-19
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A large-scale type I CBASS antiphage screen identifies the phage prohead protease as a key determinant of immune activation and evasion.
Cell Host Microbe, 2024
8XWX
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BU of 8xwx by Molmil
Crystal structure of FIS1-BAP31 complex from human
Descriptor: B-cell receptor-associated protein 31, BETA-MERCAPTOETHANOL, Mitochondrial fission 1 protein, ...
Authors:Nguyen, M.D, Bong, S.M, Lee, B.I.
Deposit date:2024-01-17
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:A crystal structure containing FIS1 and BAP31 suggests the clue for FIS1-BAP31 interaction
To Be Published
8V1J
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BU of 8v1j by Molmil
Structure of an allelic variant of Puccinia graminis f. sp. tritici (Pgt) effector AvrSr27 (AvrSr27-1)
Descriptor: AvrSr27, ZINC ION
Authors:Outram, M.A, Williams, S.J, Ericsson, D.J.
Deposit date:2023-11-20
Release date:2024-06-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.41596365 Å)
Cite:AvrSr27 is a zinc-bound effector with a modular structure important for immune recognition.
New Phytol., 243, 2024
9EUU
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BU of 9euu by Molmil
Structure of recombinant alpha-synuclein fibrils 1B capable of seeding GCIs in vivo
Descriptor: Alpha-synuclein
Authors:Burger, D, Kashyrina, M, Lewis, A, De Nuccio, F, Mohammed, I, de La Seigliere, H, van den Heuvel, L, Feuillie, C, Verchere, J, Berbon, M, Arotcarena, M, Retailleau, A, Bezard, E, Laferriere, F, Loquet, A, Bousset, L, Baron, T, Lofrumento, D.D, De Giorgi, F, Stahlberg, H, Ichas, F.
Deposit date:2024-03-28
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (1.93 Å)
Cite:Multiple System Atrophy: Insights from aSyn Fibril Structure
To Be Published
9C0O
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BU of 9c0o by Molmil
Crystal structure of DmCfp1 PHD finger bound to H3K4me3
Descriptor: CXXC-type zinc finger protein 1, DIMETHYL SULFOXIDE, Histone H3.3C, ...
Authors:Gregoire, S, Couture, J.F.
Deposit date:2024-05-27
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural insights into an atypical histone binding mechanism by a PHD finger.
to be published
9F3Y
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BU of 9f3y by Molmil
CutC choline lyase in complex with difluorocholine
Descriptor: Choline trimethylamine-lyase, difluorocholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CutC choline lyase in complex with difluorocholine
To Be Published
8TUA
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BU of 8tua by Molmil
Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
Descriptor: INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 1 protein
Authors:Cash, J.N, Tesmer, J.J.G.
Deposit date:2023-08-15
Release date:2024-04-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Full-length P-Rex1 in complex with inositol 1,3,4,5-tetrakisphosphate (IP4)
Elife, 2024
9F3X
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BU of 9f3x by Molmil
CutC choline lyase in complex with cyclopropylcholine
Descriptor: Choline trimethylamine-lyase, cyclopropylcholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CutC choline lyase in complex with fluoromethylcholine
To Be Published
7OR2
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BU of 7or2 by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 4)
Descriptor: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
Authors:Acebron-Garcia de Eulate, M, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
Deposit date:2021-06-04
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022
7OSQ
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BU of 7osq by Molmil
Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18)
Descriptor: 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase
Authors:Acebron-Garcia de Eulate, M, Mayol-Llinas, J, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C.
Deposit date:2021-06-09
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients.
J.Med.Chem., 65, 2022

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PDB entries from 2024-07-17

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