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1WNI
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BU of 1wni by Molmil
Crystal Structure of H2-Proteinase
Descriptor: Trimerelysin II, ZINC ION
Authors:Kumasaka, T, Yamamoto, M, Moriyama, H, Tanaka, N, Sato, M, Katsube, Y, Yamakawa, Y, Omori-Satoh, T, Iwanaga, S, Ueki, T.
Deposit date:2004-08-04
Release date:2004-08-17
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of H2-proteinase from the venom of Trimeresurus flavoviridis.
J.Biochem., 119, 1996
7N3O
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BU of 7n3o by Molmil
Cryo-EM structure of the Cas12k-sgRNA complex
Descriptor: Cas12k, Single guide RNA
Authors:Chang, L, Li, Z, Xiao, R, Wang, S, Han, R.
Deposit date:2021-06-01
Release date:2021-09-01
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of target DNA recognition by CRISPR-Cas12k for RNA-guided DNA transposition.
Mol.Cell, 81, 2021
7N3P
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BU of 7n3p by Molmil
Cryo-EM structure of the Cas12k-sgRNA-dsDNA complex
Descriptor: Cas12k, DNA (5'-D(*CP*AP*TP*GP*AP*CP*TP*TP*CP*TP*CP*AP*AP*CP*CP*GP*AP*GP*TP*TP*T)-3'), DNA (5'-D(P*AP*AP*AP*CP*TP*CP*GP*GP*TP*T)-3'), ...
Authors:Chang, L, Li, Z, Xiao, R, Wang, S, Han, R.
Deposit date:2021-06-01
Release date:2021-09-01
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Structural basis of target DNA recognition by CRISPR-Cas12k for RNA-guided DNA transposition.
Mol.Cell, 81, 2021
4ZNN
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BU of 4znn by Molmil
MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56
Descriptor: Alpha-synuclein
Authors:Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S.
Deposit date:2015-05-05
Release date:2015-09-09
Last modified:2024-03-06
Method:ELECTRON CRYSTALLOGRAPHY (1.41 Å)
Cite:Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
1AIH
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BU of 1aih by Molmil
CATALYTIC DOMAIN OF BACTERIOPHAGE HP1 INTEGRASE
Descriptor: HP1 INTEGRASE, MAGNESIUM ION, SULFATE ION
Authors:Hickman, A.B, Waninger, S, Scocca, J.J, Dyda, F.
Deposit date:1997-04-17
Release date:1997-08-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular organization in site-specific recombination: the catalytic domain of bacteriophage HP1 integrase at 2.7 A resolution.
Cell(Cambridge,Mass.), 89, 1997
2GGT
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BU of 2ggt by Molmil
Crystal structure of human SCO1 complexed with nickel.
Descriptor: CHLORIDE ION, NICKEL (II) ION, SCO1 protein homolog, ...
Authors:Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Martinelli, M, Palumaa, P, Wang, S.
Deposit date:2006-03-24
Release date:2006-05-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
8EX3
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BU of 8ex3 by Molmil
Plasmodium falciparum M1 in complex with inhibitor 9aa
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Calic, P.P.S, McGowan, S, Webb, C.T.
Deposit date:2022-10-24
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
8EYE
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BU of 8eye by Molmil
Plasmodium falciparum M1 in complex with inhibitor 9aj
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Calic, P.P.S, McGowan, S, Webb, C.T.
Deposit date:2022-10-26
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
8EYD
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BU of 8eyd by Molmil
Plasmodium falciparum M1 in complex with inhibitor 15ah
Descriptor: GLYCEROL, M1 family aminopeptidase, N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide, ...
Authors:Calic, P.P.S, McGowan, S, Webb, C.T.
Deposit date:2022-10-26
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
8EWZ
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BU of 8ewz by Molmil
Plasmodium falciparum M1 in complex with inhibitor 9c
Descriptor: (2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Calic, P.P.S, McGowan, S, Webb, C.T.
Deposit date:2022-10-24
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
8EYF
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BU of 8eyf by Molmil
Plasmodium falciparum M1 in complex with inhibitor 15aa
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Calic, P.P.S, McGowan, S, Webb, C.T.
Deposit date:2022-10-26
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
8EZ4
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BU of 8ez4 by Molmil
Plasmodium falciparum M17 in complex with inhibitor 9aa
Descriptor: CARBONATE ION, M17 leucyl aminopeptidase, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide, ...
Authors:Calic, P.P.S, McGowan, S, Webb, C.T.
Deposit date:2022-10-31
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
8EZ2
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BU of 8ez2 by Molmil
Plasmodium falciparum M1 in complex with inhibitor 15ag
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Calic, P.P.S, McGowan, S, Webb, C.T.
Deposit date:2022-10-31
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
5CE0
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BU of 5ce0 by Molmil
Crystal structure of conserpin with Z-mutation
Descriptor: Native conserpin with Z-variant (E342K)
Authors:Porebski, B.T, McGowan, S, Keleher, S, Buckle, A.M.
Deposit date:2015-07-06
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Smoothing a rugged protein folding landscape by sequence-based redesign.
Sci Rep, 6, 2016
5JQK
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BU of 5jqk by Molmil
The Xray Crystal Structure of P. falciparum Aminopeptidase P
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Peptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2016-05-05
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure and substrate fingerprint of aminopeptidase P from Plasmodium falciparum.
Biochem.J., 473, 2016
5JR6
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BU of 5jr6 by Molmil
The Xray Crystal Structure of P. falciparum Aminopeptidase P in Complex With Apstatin
Descriptor: Apstatin, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2016-05-05
Release date:2016-08-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and substrate fingerprint of aminopeptidase P from Plasmodium falciparum.
Biochem.J., 473, 2016
1GYX
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BU of 1gyx by Molmil
The Crystal Structure of YdcE, a 4-Oxalocrotonate Tautomerase Homologue from Escherichia coli, Confirms the Structural Basis for Oligomer Diversity
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZOIC ACID, HYPOTHETICAL PROTEIN YDCE
Authors:Almrud, J, Kern, A, Wang, S, Czerwinski, R, Johnson, W, Murzin, A, Hackert, M, Whitman, C.
Deposit date:2002-04-30
Release date:2002-10-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Crystal Structure of Ydce, a 4-Oxalocrotonate Tautomerase Homologue from Escherichia Coli, Confirms the Structural Basis for Oligomer Diversity
Biochemistry, 41, 2002
5CDX
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BU of 5cdx by Molmil
Crystal structure of conserpin
Descriptor: Conserpin
Authors:Porebski, B.T, Borg, N.A, McGowan, S, Buckle, A.M.
Deposit date:2015-07-06
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Smoothing a rugged protein folding landscape by sequence-based redesign.
Sci Rep, 6, 2016
6DRZ
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BU of 6drz by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ...
Authors:McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
Deposit date:2018-06-13
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
6DRY
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BU of 6dry by Molmil
Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ...
Authors:McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L.
Deposit date:2018-06-13
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.918 Å)
Cite:Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
1GYJ
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BU of 1gyj by Molmil
The Crystal Structure of YdcE, a 4-Oxalocrotonate Tautomerase Homologue from Escherichia coli, Confirms the Structural Basis for Oligomer Diversity
Descriptor: HYPOTHETICAL PROTEIN YDCE
Authors:Almrud, J, Kern, A, Wang, S, Czerwinski, R, Johnson, W, Murzin, A, Hackert, M, Whitman, C.
Deposit date:2002-04-23
Release date:2002-10-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Crystal Structure of Ydce, a 4-Oxalocrotonate Tautomerase Homologue from Escherichia Coli, Confirms the Structural Basis for Oligomer Diversity
Biochemistry, 41, 2002
1GYY
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BU of 1gyy by Molmil
The Crystal Structure of YdcE, a 4-Oxalocrotonate Tautomerase Homologue from Escherichia coli, Confirms the Structural Basis for Oligomer Diversity
Descriptor: 2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE, HYPOTHETICAL PROTEIN YDCE
Authors:Almrud, J, Kern, A, Wang, S, Czerwinski, R, Johnson, W, Murzin, A, Hackert, M, Whitman, C.
Deposit date:2002-04-30
Release date:2002-10-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The Crystal Structure of Ydce, a 4-Oxalocrotonate Tautomerase Homologue from Escherichia Coli, Confirms the Structural Basis for Oligomer Diversity
Biochemistry, 41, 2002
5KYO
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BU of 5kyo by Molmil
Crystal Structure of CYP101J2
Descriptor: CYP101J2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Unterweger, B, Drinkwater, N, Dumsday, G.J, McGowan, S.
Deposit date:2016-07-22
Release date:2017-01-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structure of cytochrome P450 monooxygenase CYP101J2 from Sphingobium yanoikuyae strain B2.
Proteins, 85, 2017
2XDS
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BU of 2xds by Molmil
Structure of HSP90 with small molecule inhibitor bound
Descriptor: 1-CHLORO-4-METHYLPHTHALAZINE, DIMETHYL SULFOXIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A.
Deposit date:2010-05-07
Release date:2010-09-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
4ZX5
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BU of 4zx5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016

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