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6RT8
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BU of 6rt8 by Molmil
Structure of catharanthine synthase - an alpha-beta hydrolase from Catharanthus roseus with a cleaviminium intermediate bound
Descriptor: 18-carboxymethoxy-cleaviminium, Catharanthine synthase, HEXAETHYLENE GLYCOL
Authors:Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E.
Deposit date:2019-05-22
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids.
Nat.Chem.Biol., 16, 2020
6S6W
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BU of 6s6w by Molmil
Crystal Structure of human ALDH1A3 in complex with 2,6-diphenylimidazo[1,2-a]pyridine (compound GA11) and NAD+
Descriptor: 2,6-diphenylimidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ...
Authors:Gelardi, E.L.M, Quattrini, L, LaMotta, C, Ferraris, D.M, Garavaglia, S.
Deposit date:2019-07-03
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Imidazo[1,2-a]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells.
J.Med.Chem., 63, 2020
6S2Y
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BU of 6s2y by Molmil
Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum with Chlorophyll-b
Descriptor: CHLOROPHYLL B, Water-soluble chlorophyll protein
Authors:Agostini, A, Meneghin, E, Gewehr, L, Pedron, D, Palm, D.M, Carbonera, D, Paulsen, H, Jaenicke, E, Collini, E.
Deposit date:2019-06-23
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:How water-mediated hydrogen bonds affect chlorophyll a/b selectivity in Water-Soluble Chlorophyll Protein.
Sci Rep, 9, 2019
6S1F
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BU of 6s1f by Molmil
Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP3
Descriptor: Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide
Authors:Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
Deposit date:2019-06-18
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Design of 3,5-diaryl-2-aminopyridines as receptor-interacting protein kinase 2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling inhibitors
To be published
6S2Z
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BU of 6s2z by Molmil
Water-soluble Chlorophyll Protein (WSCP) from Brassica oleracea var. Botrytis with Chlorophyll-b
Descriptor: CHLOROPHYLL B, Water-Soluble Chlorophyll Protein
Authors:Agostini, A, Meneghin, E, Gewehr, L, Pedron, D, Palm, D.M, Carbonera, D, Paulsen, H, Jaenicke, E, Collini, E.
Deposit date:2019-06-23
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:How water-mediated hydrogen bonds affect chlorophyll a/b selectivity in Water-Soluble Chlorophyll Protein.
Sci Rep, 9, 2019
6S4L
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BU of 6s4l by Molmil
Structure of human KCTD1
Descriptor: BTB/POZ domain-containing protein KCTD1, IODIDE ION, SODIUM ION
Authors:Pinkas, D.M, Bufton, J.C, Fox, A.E, Pike, A.C.W, Newman, J.A, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A.N.
Deposit date:2019-06-28
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structure of human KCTD1
To be published
6SRW
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BU of 6srw by Molmil
Kemp Eliminase HG3.17 mutant Q50F, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50F
Authors:Bloch, J.S, Pinkas, D.M, Hilvert, D.
Deposit date:2019-09-06
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
6SRZ
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BU of 6srz by Molmil
Kemp Eliminase HG3.17 mutant Q50H, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50H, ...
Authors:Bloch, J.S, Pinkas, D.M, Hilvert, D.
Deposit date:2019-09-06
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
6SS1
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BU of 6ss1 by Molmil
Kemp Eliminase HG3.17 mutant Q50A, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.17 Q50A, E47N,N300D Complexed with Transition State Analog 6-Nitrobenzotriazole, ...
Authors:Bloch, J.S, Pinkas, D.M, Hilvert, D.
Deposit date:2019-09-06
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
6T1F
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BU of 6t1f by Molmil
Crystal structure of the C-terminally truncated chromosome-partitioning protein ParB from Caulobacter crescentus complexed to the centromeric parS site
Descriptor: Chromosome-partitioning protein ParB, DNA (5'-D(*GP*GP*AP*TP*GP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*CP*AP*TP*CP*C)-3')
Authors:Jalal, A.S.B, Pastrana, C.L, Tran, N.T, Stevenson, C.E.M, Lawson, D.M, Moreno-Herrero, F, Le, T.B.K.
Deposit date:2019-10-04
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A CTP-dependent gating mechanism enables ParB spreading on DNA.
Elife, 10, 2021
6SS3
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BU of 6ss3 by Molmil
Kemp Eliminase HG3.17 mutant Q50K, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50K, ...
Authors:Bloch, J.S, Pinkas, D.M, Hilvert, D.
Deposit date:2019-09-06
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
6SRY
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BU of 6sry by Molmil
Kemp Eliminase HG3.17 mutant Q50S, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3.17 Q50S, E47N,N300D, ...
Authors:Bloch, J.S, Pinkas, D.M, Hilvert, D.
Deposit date:2019-09-06
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
6T3E
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BU of 6t3e by Molmil
Structure of Thermococcus litoralis Delta(1)-pyrroline-2-carboxylate reductase in complex with NADH and L-proline
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DELTA1-pyrroline-2-carboxylate reductase, PROLINE
Authors:Ferraris, D.M, Miggiano, R, Ferrario, E, Rizzi, M.
Deposit date:2019-10-10
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Thermococcus litoralis Delta1-pyrroline-2-carboxylate reductase in complex with NADH and L-proline.
Acta Crystallogr D Struct Biol, 76, 2020
6TVP
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BU of 6tvp by Molmil
Structure of Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM
Descriptor: Alpha-maltose-1-phosphate synthase, SODIUM ION
Authors:Syson, K, Stevenson, C.E.M, Lawson, D.M, Bornemann, S.
Deposit date:2020-01-10
Release date:2020-04-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Mycobacterium smegmatis alpha-maltose-1-phosphate synthase GlgM.
Acta Crystallogr.,Sect.F, 76, 2020
7LXP
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BU of 7lxp by Molmil
Collagen Mimetic Peptide with an Xaa-position Aza-proline
Descriptor: Collagen mimetic peptide
Authors:Melton, S.D, Harris, T, Chenoweth, D.M.
Deposit date:2021-03-04
Release date:2022-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Collagen Mimetic Peptide with an Xaa-position Aza-proline
To Be Published
7LRH
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BU of 7lrh by Molmil
C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase)
Descriptor: Riboflavin biosynthesis protein RibD, SULFATE ION
Authors:Bonomi, H.R, Cerutti, M.L, Posadas, D.M, Goldbaum, F.A, Klinke, S.
Deposit date:2021-02-16
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase)
To be published
7LXQ
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BU of 7lxq by Molmil
Collagen Mimetic Peptide with a Yaa-position Aza-proline
Descriptor: Collagen mimetic peptide
Authors:Melton, S.D, Harris, T, Chenoweth, D.M.
Deposit date:2021-03-04
Release date:2022-03-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Collagen Mimetic Peptide with a Yaa-position Aza-proline
To Be Published
8BV0
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BU of 8bv0 by Molmil
Binary complex between the NB-ARC domain from the Tomato immune receptor NRC1 and the SPRY domain-containing effector SS15 from the potato cyst nematode
Descriptor: ADENOSINE-5'-DIPHOSPHATE, NRC1, Truncated secreted SPRY domain-containing protein 15 (Fragment)
Authors:Contreras, M.P, Pai, H, Muniyandi, S, Toghani, A, Lawson, D.M, Tumtas, Y, Duggan, C, Yuen, E.L.H, Stevenson, C.E.M, Harant, A, Wu, C.H, Bozkurt, T.O, Kamoun, S, Derevnina, L.
Deposit date:2022-12-01
Release date:2022-12-21
Last modified:2023-05-24
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:Resurrection of plant disease resistance proteins via helper NLR bioengineering.
Sci Adv, 9, 2023
8BN6
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BU of 8bn6 by Molmil
Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021
Descriptor: 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B
Authors:Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
Deposit date:2022-11-12
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus .
J.Med.Chem., 66, 2023
7MRJ
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BU of 7mrj by Molmil
Crystal structure of a novel ubiquitin-like TINCR
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Forouhar, F, Morgado-Palacin, L, Brown, J.A, Martinez, T, Pedrero, J.M.G, Reglero, C, Chaudhry, I, Vaughan, J, Rodriguez-Perales, S, Allonca, E, Granda-Diaz, R, Quinn, S.A, Fernandez, A.F, Fraga, M.F, Kim, A.L, Santos-Juanes, J, Owens, D.M, Rodrigo, J.P, Saghatelian, A, Ferrando, A.A.
Deposit date:2021-05-07
Release date:2022-03-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The TINCR ubiquitin-like microprotein is a tumor suppressor in squamous cell carcinoma.
Nat Commun, 14, 2023
7NG0
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BU of 7ng0 by Molmil
Crystal structure of N- and C-terminally truncated Geobacillus thermoleovorans nucleoid occlusion protein Noc
Descriptor: Nucleoid occlusion protein, SULFATE ION
Authors:Jalal, A.S.B, Tran, N.T, Wu, L.J, Ramakrishnan, K, Rejzek, M, Stevenson, C.E.M, Lawson, D.M, Errington, J, Le, T.B.K.
Deposit date:2021-02-08
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:CTP regulates membrane-binding activity of the nucleoid occlusion protein Noc.
Mol.Cell, 81, 2021
7NFU
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BU of 7nfu by Molmil
Crystal structure of C-terminally truncated Geobacillus thermoleovorans nucleoid occlusion protein Noc
Descriptor: GLYCEROL, Nucleoid occlusion protein, SULFATE ION
Authors:Jalal, A.S.B, Tran, N.T, Wu, L.J, Ramakrishnan, K, Rejzek, M, Stevenson, C.E.M, Lawson, D.M, Errington, J, Le, T.B.K.
Deposit date:2021-02-07
Release date:2021-02-17
Last modified:2021-09-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:CTP regulates membrane-binding activity of the nucleoid occlusion protein Noc.
Mol.Cell, 81, 2021
8CAF
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BU of 8caf by Molmil
N8C_Fab3b in complex with NEDD8-CUL1(WHB)
Descriptor: Cullin-1, Fab Heavy Chain, Fab Light Chain, ...
Authors:Duda, D.M, Yanishevski, D, Henneberg, L.T, Schulman, B.A.
Deposit date:2023-01-24
Release date:2023-09-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Activity-based profiling of cullin-RING E3 networks by conformation-specific probes.
Nat.Chem.Biol., 19, 2023
8CRO
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BU of 8cro by Molmil
Cryo-EM structure of Pyrococcus furiosus transcription elongation complex
Descriptor: DNA Non-Template Strand, DNA Template Strand, DNA-directed RNA polymerase subunit Rpo10, ...
Authors:Tarau, D.M, Grunberger, F, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D.
Deposit date:2023-03-08
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment
Nucleic Acids Res., 2024
8DRE
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BU of 8dre by Molmil
LRRC8A:C conformation 2 (oblong)
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Volume-regulated anion channel subunit LRRC8A,Soluble cytochrome b562, Volume-regulated anion channel subunit LRRC8C
Authors:Kern, D.M, Brohawn, S.G.
Deposit date:2022-07-20
Release date:2023-03-08
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis for assembly and lipid-mediated gating of LRRC8A:C volume-regulated anion channels.
Nat.Struct.Mol.Biol., 30, 2023

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PDB entries from 2024-04-24

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