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3EUX
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BU of 3eux by Molmil
Crystal Structure of Crosslinked Ribonuclease A
Descriptor: Ribonuclease pancreatic
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3EV4
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BU of 3ev4 by Molmil
Crystal Structure of Ribonuclease A in 50% Trifluoroethanol
Descriptor: Ribonuclease pancreatic, TRIFLUOROETHANOL
Authors:Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
Deposit date:2008-10-12
Release date:2009-06-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
5Z0A
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BU of 5z0a by Molmil
ST0452(Y97N)-GlcNAc binding form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dual sugar-1-phosphate nucleotidylyltransferase
Authors:Honda, Y, Nakano, S, Ito, S, Dadashipour, M, Zhang, Z, Kawarabayasi, Y.
Deposit date:2017-12-19
Release date:2018-10-31
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Improvement of ST0452N-Acetylglucosamine-1-Phosphate Uridyltransferase Activity by the Cooperative Effect of Two Single Mutations Identified through Structure-Based Protein Engineering
Appl. Environ. Microbiol., 84, 2018
3TPL
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BU of 3tpl by Molmil
APO Structure of BACE1
Descriptor: Beta-secretase 1, CHLORIDE ION, SULFATE ION
Authors:Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
Deposit date:2011-09-08
Release date:2011-11-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3TPR
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BU of 3tpr by Molmil
Crystal structure of BACE1 complexed with an inhibitor
Descriptor: Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
Authors:Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L.
Deposit date:2011-09-08
Release date:2011-11-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
3NRC
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BU of 3nrc by Molmil
Crystal Structure of the Francisella tularensis enoyl-acyl carrier protein reductase (FabI) in complex with NAD+ and triclosan
Descriptor: Enoyl-[acyl-carrier-protein] reductase (NADH), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Mehboob, S, Santarsiero, B.D, Truong, K, Johnson, M.E.
Deposit date:2010-06-30
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Structure of the Francisella tularensis enoyl-acyl carrier protein reductase (FabI) in complex with NAD(+) and triclosan.
Acta Crystallogr.,Sect.F, 66, 2010
5F3H
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BU of 5f3h by Molmil
Structure of myostatin in complex with humanized RK35 antibody
Descriptor: Growth/differentiation factor 8, humanized RK35 antibody heavy chain, humanized RK35 antibody light chain
Authors:Parris, K.D, Mosyak, L.
Deposit date:2015-12-02
Release date:2016-09-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
5F3B
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BU of 5f3b by Molmil
Structure of myostatin in complex with chimeric RK35 antibody
Descriptor: GLYCEROL, Growth/differentiation factor 8, RK35 Chimeric antibody heavy chain, ...
Authors:Parris, K.D, Mosyak, L.
Deposit date:2015-12-02
Release date:2016-09-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Beyond CDR-grafting: Structure-guided humanization of framework and CDR regions of an anti-myostatin antibody.
Mabs, 8, 2016
6T62
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BU of 6t62 by Molmil
Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
5Z37
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BU of 5z37 by Molmil
Crystal Structure of Abrin A chain (Recombinant) at 1.3 Angstroms
Descriptor: Abrin A-chain, IMIDAZOLE
Authors:Bansia, H, Karande, A.A, Ramakumar, S.
Deposit date:2018-01-05
Release date:2019-01-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis for neutralization of cytotoxic abrin by monoclonal antibody D6F10.
FEBS J., 286, 2019
6DSS
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BU of 6dss by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
Descriptor: Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
Authors:Brandt, G.S, Novak, W.R.P.
Deposit date:2018-06-14
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6DSQ
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BU of 6dsq by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
Descriptor: Orotidine 5'-monophosphate decarboxylase
Authors:Brandt, G.S, Novak, W.R.P.
Deposit date:2018-06-14
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target.
Acta Crystallogr F Struct Biol Commun, 74, 2018
8WQ9
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BU of 8wq9 by Molmil
Crystal structure of dihydropyrimidinase complexed with gamma-aminobutyric acid
Descriptor: D-hydantoinase/dihydropyrimidinase, GAMMA-AMINO-BUTANOIC ACID, ZINC ION
Authors:Huang, Y.H, Huang, C.Y.
Deposit date:2023-10-11
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The complexed crystal structure of dihydropyrimidinase reveals a potential interactive link with the neurotransmitter gamma-aminobutyric acid (GABA).
Biochem.Biophys.Res.Commun., 692, 2024
5ZS9
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BU of 5zs9 by Molmil
SufS from Bacillus subtilis in the resting state
Descriptor: Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER
Authors:Nakamura, R, Fujishiro, T, Takahashi, Y.
Deposit date:2018-04-28
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
5EUJ
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BU of 5euj by Molmil
PYRUVATE DECARBOXYLASE FROM ZYMOBACTER PALMAE
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Pyruvate decarboxylase, ...
Authors:Buddrus, L, Crennell, S.J, Leak, D.J, Danson, M.J, Andrews, E.S.V, Arcus, V.L.
Deposit date:2015-11-18
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of pyruvate decarboxylase from Zymobacter palmae.
Acta Crystallogr.,Sect.F, 72, 2016
6DSR
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BU of 6dsr by Molmil
Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase
Descriptor: Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
Authors:Brandt, G.S, Novak, W.R.P.
Deposit date:2018-06-14
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target.
Acta Crystallogr F Struct Biol Commun, 74, 2018
9G8K
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BU of 9g8k by Molmil
Structure of K+-dependent Na+-PPase from Thermotoga maritima in complex with Ca2+ and Etidronate
Descriptor: (1-hydroxyethane-1,1-diyl)bis(phosphonic acid), CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Vidilaseris, K, Liu, J, Goldman, A.
Deposit date:2024-07-23
Release date:2025-06-04
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Conformational dynamics and asymmetry in multimodal inhibition of membrane-bound pyrophosphatases
Elife, 2024
8WZU
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BU of 8wzu by Molmil
4-hydroxybutyryl-CoA Synthetase (ADP-forming) from Nitrosopumilus maritimus.
Descriptor: 4-hydroxybutyrate--CoA ligase [ADP-forming], SULFATE ION
Authors:Johnson, J, Demirci, H.
Deposit date:2023-11-02
Release date:2024-06-12
Last modified:2025-06-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the 4-hydroxybutyryl-CoA synthetase (ADP-forming) from nitrosopumilus maritimus.
Commun Biol, 7, 2024
6T77
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BU of 6t77 by Molmil
Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution
Descriptor: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
Deposit date:2019-10-21
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
8UEL
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BU of 8uel by Molmil
Crystal structure of enolase from Litopenaeus vannamei
Descriptor: Enolase, MAGNESIUM ION, PHOSPHOENOLPYRUVATE, ...
Authors:Chang, X, Zhao, G.
Deposit date:2023-10-01
Release date:2023-12-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Characterization and Structural Analyses of Enolase from Shrimp ( Litopenaeus vannamei ).
J.Agric.Food Chem., 71, 2023
6DXQ
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BU of 6dxq by Molmil
Crystal structure of the LigJ Hydratase product complex with 4-carboxy-4-hydroxy-2-oxoadipate
Descriptor: (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2018-06-29
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
5ZST
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BU of 5zst by Molmil
NifS from Hydrogenimonas thermopile in a persulfurated form
Descriptor: Cysteine desulfurase
Authors:Nakamura, R, Fujishiro, T, Takahashi, Y.
Deposit date:2018-04-29
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
7U9K
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BU of 7u9k by Molmil
Staphylococcus aureus D-alanine-D-alanine ligase in complex with ATP, D-ala-D-ala, Mg2+ and K+
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, D-alanine--D-alanine ligase, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2022-03-10
Release date:2023-03-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided design and synthesis of ATP-competitive N-acyl-substituted sulfamide d-alanine-d-alanine ligase inhibitors.
Bioorg.Med.Chem., 96, 2023
5ZSK
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BU of 5zsk by Molmil
SufS from Bacillus subtilis soaked with L-cysteine for 63 sec
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, Cysteine desulfurase SufS
Authors:Nakamura, R, Fujishiro, T, Takahashi, Y.
Deposit date:2018-04-28
Release date:2019-05-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
5ZSP
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BU of 5zsp by Molmil
NifS from Hydrogenimonas thermophila
Descriptor: Cysteine desulfurase
Authors:Nakamura, R, Fujishiro, T, Takahashi, Y.
Deposit date:2018-04-29
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020

243531

數據於2025-10-22公開中

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