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3FHE
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BU of 3fhe by Molmil
Leukotriene A4 Hydrolase complexed with inhibitor N-[3-(4-benzylphenoxy)propyl]-N-methyl-beta-alanine.
Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Mamat, B, Davies, D.R.
Deposit date:2008-12-09
Release date:2010-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
7F46
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BU of 7f46 by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab (state1, local refinement of the RBD, NTD and 35B5 Fab)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-06-17
Release date:2022-03-23
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (4.79 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
5JYG
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BU of 5jyg by Molmil
Cryo-EM structure of the MamK filament at 6.5 A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-like ATPase, MAGNESIUM ION
Authors:Bergeron, J.R.C, Hutto, R, Kollman, J.M.
Deposit date:2016-05-13
Release date:2016-07-27
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.5 Å)
Cite:Structure of the magnetosome-associated actin-like MamK filament at subnanometer resolution.
Protein Sci., 26, 2017
3FUL
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BU of 3ful by Molmil
Leukotriene A4 hydrolase in complex with pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
Descriptor: IMIDAZOLE, Leukotriene A-4 hydrolase, YTTERBIUM (III) ION, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3K9X
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BU of 3k9x by Molmil
X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE
Descriptor: CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ...
Authors:Klei, H.E, Kish, K, Ghosh, K, Rushith, A.
Deposit date:2009-10-16
Release date:2009-12-15
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
5YFG
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BU of 5yfg by Molmil
SOLUTION STRUCTURE OF HUMAN MOG1
Descriptor: Ran guanine nucleotide release factor
Authors:Hu, Q, Liu, Y, Bao, X, Liu, H.
Deposit date:2017-09-21
Release date:2017-11-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation
J Mol Cell Biol, 10, 2018
6CNA
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BU of 6cna by Molmil
GluN1-GluN2B NMDA receptors with exon 5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Furukawa, H, Grant, T, Grigorieff, N.
Deposit date:2018-03-07
Release date:2018-10-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural Mechanism of Functional Modulation by Gene Splicing in NMDA Receptors.
Neuron, 98, 2018
7FAH
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BU of 7fah by Molmil
Immune complex of head region of CA09 HA and neutralizing antibody 12H5
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Li, T.T, Xue, W.H, Gu, Y, Li, S.W.
Deposit date:2021-07-06
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.151 Å)
Cite:Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
5LZ1
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BU of 5lz1 by Molmil
Crystal structure of human ACBD3 GOLD domain
Descriptor: Golgi resident protein GCP60
Authors:Klima, M, Boura, E.
Deposit date:2016-09-29
Release date:2016-12-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kobuviral Non-structural 3A Proteins Act as Molecular Harnesses to Hijack the Host ACBD3 Protein.
Structure, 25, 2017
3FTZ
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BU of 3ftz by Molmil
Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline
Descriptor: 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2010-01-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
8TBP
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BU of 8tbp by Molmil
HLA-DRB1*15:01 in complex with smith antigen
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Ting, Y.T, Broury, A, Ooi, J.
Deposit date:2023-06-29
Release date:2024-02-21
Method:X-RAY DIFFRACTION (3.12621117 Å)
Cite:Smith-specific regulatory T cells halt the progression of lupus nephritis.
Nat Commun, 15, 2024
6C0B
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BU of 6c0b by Molmil
Structural basis for recognition of frizzled proteins by Clostridium difficile toxin B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-2, MALONATE ION, ...
Authors:Chen, P, Lam, K, Jin, R.
Deposit date:2017-12-28
Release date:2018-05-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for recognition of frizzled proteins byClostridium difficiletoxin B.
Science, 360, 2018
2HH5
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BU of 2hh5 by Molmil
Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide
Descriptor: CHLORIDE ION, Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, ...
Authors:Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S.
Deposit date:2006-06-27
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers.
Bioorg.Med.Chem.Lett., 16, 2006
5X83
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BU of 5x83 by Molmil
Structure of DCC FN456 domains
Descriptor: Netrin receptor DCC
Authors:Finci, F.I, Xiao, J, Wang, J.
Deposit date:2017-02-28
Release date:2017-09-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Structure of unliganded membrane-proximal domains FN4-FN5-FN6 of DCC
Protein Cell, 8, 2017
5LZ3
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BU of 5lz3 by Molmil
Crystal structure of human ACBD3 GOLD domain in complex with 3A protein of Aichivirus A
Descriptor: 3A, Golgi resident protein GCP60
Authors:Klima, M, Boura, E.
Deposit date:2016-09-29
Release date:2016-12-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Kobuviral Non-structural 3A Proteins Act as Molecular Harnesses to Hijack the Host ACBD3 Protein.
Structure, 25, 2017
3K9W
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BU of 3k9w by Molmil
Crystal structure of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei with hydrolyzed 3'-dephospho Coenzyme A
Descriptor: 4'-diphospho pantetheine, ACETATE ION, ADENINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-10-16
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 67, 2011
5LZ6
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BU of 5lz6 by Molmil
Crystal structure of human ACBD3 GOLD domain in complex with 3A protein of Aichivirus B
Descriptor: 3A, Golgi resident protein GCP60, beta-D-glucopyranose
Authors:Klima, M, Boura, E.
Deposit date:2016-09-29
Release date:2016-12-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Kobuviral Non-structural 3A Proteins Act as Molecular Harnesses to Hijack the Host ACBD3 Protein.
Structure, 25, 2017
4JZR
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BU of 4jzr by Molmil
Structure of Prolyl Hydroxylase Domain-containing Protein (PHD) with Inhibitors
Descriptor: 1,2-ETHANEDIOL, 2-(biphenyl-4-yl)-8-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one, Egl nine homolog 1, ...
Authors:Ma, Y, Yang, L.
Deposit date:2013-04-03
Release date:2013-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel complex crystal structure of prolyl hydroxylase domain-containing protein 2 (PHD2): 2,8-Diazaspiro[4.5]decan-1-ones as potent, orally bioavailable PHD2 inhibitors
Bioorg.Med.Chem., 21, 2013
8TY1
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BU of 8ty1 by Molmil
Cryo-EM structure of coagulation factor VIII bound to NB2E9
Descriptor: Coagulation factor VIII, NB2E9 heavy chain, NB2E9 light chain, ...
Authors:Childers, K.C, Spiegel, P.C.
Deposit date:2023-08-24
Release date:2023-09-13
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural basis for inhibition of coagulation factor VIII reveals a shared immunogenic hot-spot on the C1 domain
To Be Published
3HPT
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BU of 3hpt by Molmil
Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine
Descriptor: 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Klei, H.E, Ghosh, K, Rushith, A, Kish, K.
Deposit date:2009-06-04
Release date:2009-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
6A0Z
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BU of 6a0z by Molmil
Crystal structure of broadly neutralizing antibody 13D4 bound to H5N1 influenza hemagglutinin, HA head region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 13D4, Fab Heavy Chain, ...
Authors:Li, S, Li, T.
Deposit date:2018-06-06
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.329 Å)
Cite:Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018
3ZEK
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BU of 3zek by Molmil
Hen egg-white lysozyme structure determined at room temperature by in- situ diffraction in ChipX
Descriptor: CHLORIDE ION, LYSOZYME C
Authors:Pinker, F, Lorber, B, Sauter, C.
Deposit date:2012-12-05
Release date:2012-12-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Chipx: A Novel Microfluidic Chip for Counter- Diffusion Crystallization of Biomolecules and in Situ Crystal Analysis at Room Temperature
To be Published
3ND8
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BU of 3nd8 by Molmil
Structural characterization for the nucleotide binding ability of subunit A of the A1AO ATP synthase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, ...
Authors:Kumar, A, Gruber, G.
Deposit date:2010-06-07
Release date:2011-03-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The transition-like state and Pi entrance into the catalytic a subunit of the biological engine A-ATP synthase.
J.Mol.Biol., 408, 2011
3ZEJ
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BU of 3zej by Molmil
Thaumatin structure determined at room temperature by in-situ diffraction in ChipX
Descriptor: L(+)-TARTARIC ACID, THAUMATIN-1
Authors:Pinker, F, Lorber, B, Sauter, C.
Deposit date:2012-12-05
Release date:2012-12-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Chipx: A Novel Microfluidic Chip for Counter- Diffusion Crystallization of Biomolecules and in Situ Crystal Analysis at Room Temperature
To be Published
6A0X
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BU of 6a0x by Molmil
Crystal structure of broadly neutralizing antibody 13D4
Descriptor: Antibody 13D4, Fab Heavy Chain, Fab Light Chain
Authors:Li, S, Li, T.
Deposit date:2018-06-06
Release date:2018-06-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018

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