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8PF2
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BU of 8pf2 by Molmil
Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK16
Descriptor: Chemotaxis protein CheA, RESORCINOL
Authors:Adhav, A, Marina, A.
Deposit date:2023-06-15
Release date:2024-06-26
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Repurposing Hsp90 inhibitors as antimicrobials targeting two-component systems identifies compounds leading to loss of bacterial membrane integrity.
Microbiol Spectr, 12, 2024
4XCT
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BU of 4xct by Molmil
Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain.
Descriptor: (2S,3S)-butane-2,3-diol, (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide, 1,2-ETHANEDIOL, ...
Authors:Stura, E.A, Tepshi, L, Nuti, E, Dive, V, Cassar-Lajeunesse, E, Vera, L, Rossello, A.
Deposit date:2014-12-18
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
4WZV
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BU of 4wzv by Molmil
Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain
Descriptor: (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ...
Authors:Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A.
Deposit date:2014-11-20
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
8RND
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BU of 8rnd by Molmil
Cathepsin S in complex with NNPI-C10 inhibitor
Descriptor: 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ...
Authors:Petruzzella, A, Lau, K, Pojer, F, Oricchio, E.
Deposit date:2024-01-09
Release date:2024-06-05
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 20, 2024
8PI3
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BU of 8pi3 by Molmil
Cathepsin S Y132D mutant in complex with NNPI-C10 inhibitor
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ...
Authors:Petruzzella, A, Lau, K, Pojer, F, Oricchio, E.
Deposit date:2023-06-21
Release date:2024-06-05
Last modified:2024-09-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins.
Nat.Chem.Biol., 20, 2024
8OYD
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BU of 8oyd by Molmil
TrkB transmembrane domain NMR structure in DMPC/DHPC bicelles
Descriptor: BDNF/NT-3 growth factors receptor
Authors:Kot, E.F, Mineev, K.S, Goncharuk, S.A.
Deposit date:2023-05-04
Release date:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis for the transmembrane signaling and antidepressant-induced activation of the receptor tyrosine kinase TrkB
To Be Published
4WBY
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BU of 4wby by Molmil
tRNA-processing enzyme (apo form I)
Descriptor: GLYCEROL, Poly A polymerase, SULFATE ION
Authors:Yamashita, S, Tomita, K.
Deposit date:2014-09-04
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
4WC5
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BU of 4wc5 by Molmil
Structure of tRNA-processing enzyme complex 3
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, Poly A polymerase, RNA (74-MER)
Authors:Yamashita, S, Tomita, K.
Deposit date:2014-09-04
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
4WC4
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BU of 4wc4 by Molmil
tRNA-processing enzyme complex 2
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Poly A polymerase, RNA (74-MER)
Authors:Yamashita, S, Tomita, K.
Deposit date:2014-09-04
Release date:2015-04-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.501 Å)
Cite:Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
4WC6
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BU of 4wc6 by Molmil
Structure of tRNA-processing enzyme complex 4
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Poly A polymerase, RNA (75-mer)
Authors:Yamashita, S, Tomita, K.
Deposit date:2014-09-04
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.41 Å)
Cite:Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
6N4D
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BU of 6n4d by Molmil
The crystal structure of neuramindase from A/canine/IL/11613/2015 (H3N2) influenza virus.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yang, H, Stevens, J.
Deposit date:2018-11-19
Release date:2019-01-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Assessment of Molecular, Antigenic, and Pathological Features of Canine Influenza A(H3N2) Viruses That Emerged in the United States.
J. Infect. Dis., 216, 2017
6N4F
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BU of 6n4f by Molmil
The crystal structure of hemagglutinin from A/canine/IL/11613/2015 (H3N2) influenza virus.
Descriptor: Hemagglutinin HA1, Hemagglutinin HA2
Authors:Yang, H, Stevesn, J.
Deposit date:2018-11-19
Release date:2019-01-30
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Assessment of Molecular, Antigenic, and Pathological Features of Canine Influenza A(H3N2) Viruses That Emerged in the United States.
J. Infect. Dis., 216, 2017
6HYC
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BU of 6hyc by Molmil
The structure of full-length human phenylalanine hydroxylase in complex with the cofactor and negative regulator tetrahydrobiopterin
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, Phenylalanine-4-hydroxylase
Authors:Alcorlo Pages, M, Flydal, I.M.
Deposit date:2018-10-19
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Structure of full-length human phenylalanine hydroxylase in complex with tetrahydrobiopterin.
Proc.Natl.Acad.Sci.USA, 116, 2019
6HPO
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BU of 6hpo by Molmil
Crystallographic structure of the catalytic domain of Human Phenylalanine Hydroxylase (hPAH CD) in complex with iron at 1.6 Angstrom
Descriptor: FE (III) ION, Phenylalanine-4-hydroxylase
Authors:Alcorlo Pages, M, Innselset Flydal, M.
Deposit date:2018-09-21
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure of full-length human phenylalanine hydroxylase in complex with tetrahydrobiopterin.
Proc.Natl.Acad.Sci.USA, 116, 2019
6J6Y
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BU of 6j6y by Molmil
FGFR4 D2 - Fab complex
Descriptor: Fab Heavy chain, Fab light chain, Fibroblast growth factor receptor 4
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2019-01-16
Release date:2019-08-07
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Preclinical Development of U3-1784, a Novel FGFR4 Antibody Against Cancer, and Avoidance of Its On-target Toxicity.
Mol.Cancer Ther., 18, 2019
6H0U
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BU of 6h0u by Molmil
Glycogen synthase kinase-3 beta (GSK3) complex with a covalent [1,2,4]triazolo[1,5-a][1,3,5]triazine inhibitor
Descriptor: (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide, CHLORIDE ION, GLYCEROL, ...
Authors:Marcovich, I, Demitri, N, De Zorzi, R, Storici, P.
Deposit date:2018-07-10
Release date:2019-05-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Triazolotriazine-Based Dual GSK-3 beta /CK-1 delta Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition.
Chemmedchem, 14, 2019
3G3N
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BU of 3g3n by Molmil
PDE7A catalytic domain in complex with 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one
Descriptor: 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ...
Authors:Castano, T, Wang, H.
Deposit date:2009-02-02
Release date:2009-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis, structural analysis, and biological evaluation of thioxoquinazoline derivatives as phosphodiesterase 7 inhibitors
Chemmedchem, 4, 2009
4X0B
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BU of 4x0b by Molmil
Structure of tRNA-processing enzyme complex 7
Descriptor: Poly A polymerase, RNA (77-MER)
Authors:Yamashita, S, Tomita, K.
Deposit date:2014-11-21
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
4X0A
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BU of 4x0a by Molmil
Structure of tRNA-processing enzyme complex 6
Descriptor: Poly A polymerase, RNA (73-MER)
Authors:Yamashita, S, Tomita, K.
Deposit date:2014-11-21
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.505 Å)
Cite:Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
1PAH
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BU of 1pah by Molmil
HUMAN PHENYLALANINE HYDROXYLASE DIMER, RESIDUES 117-424
Descriptor: FE (III) ION, PHENYLALANINE HYDROXYLASE
Authors:Stevens, R.C, Erlandsen, H.
Deposit date:1997-10-25
Release date:1999-01-13
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the catalytic domain of human phenylalanine hydroxylase reveals the structural basis for phenylketonuria.
Nat.Struct.Biol., 4, 1997
6YTU
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BU of 6ytu by Molmil
Atomic-resolution structure of the coiled-coil dimerisation domain of human Arc
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Activity-regulated cytoskeleton-associated protein, CHLORIDE ION
Authors:Hallin, E.I, Touma, C, Bramham, C.R, Kursula, P.
Deposit date:2020-04-24
Release date:2021-03-03
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Arc self-association and formation of virus-like capsids are mediated by an N-terminal helical coil motif.
Febs J., 288, 2021
6TQR
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BU of 6tqr by Molmil
The crystal structure of the MSP domain of human VAP-A in complex with the Phospho-FFAT motif of STARD3.
Descriptor: CHLORIDE ION, StAR-related lipid transfer protein 3, Vesicle-associated membrane protein-associated protein A
Authors:McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F.
Deposit date:2019-12-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts.
Embo J., 39, 2020
6TQT
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BU of 6tqt by Molmil
The crystal structure of the MSP domain of human MOSPD2.
Descriptor: 1,2-ETHANEDIOL, Motile sperm domain-containing protein 2, PHOSPHATE ION
Authors:McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F.
Deposit date:2019-12-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts.
Embo J., 39, 2020
5NMA
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BU of 5nma by Molmil
Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain
Descriptor: (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A
Authors:Rochel, N, Belorusova, A.Y.
Deposit date:2017-04-05
Release date:2017-05-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain.
Eur J Med Chem, 134, 2017
6TQS
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BU of 6tqs by Molmil
The crystal structure of the MSP domain of human MOSPD2 in complex with the conventional FFAT motif of ORP1.
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:McEwen, A.G, Poussin-Courmontagne, P, Di Mattia, T, Wendling, C, Cavarelli, J, Tomasetto, C, Alpy, F.
Deposit date:2019-12-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts.
Embo J., 39, 2020

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