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7CI8
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BU of 7ci8 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol, MAGNESIUM ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CIE
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BU of 7cie by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CI6
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BU of 7ci6 by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol, CHLORIDE ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ...
Authors:Mima, M, Baker, L.M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
7CIA
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BU of 7cia by Molmil
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
Descriptor: 4-HYDROXY-BENZOIC ACID METHYL ESTER, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
Authors:Baker, L.M, Mima, M, Surgenor, A, Robertson, A.
Deposit date:2020-07-07
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
3AM2
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BU of 3am2 by Molmil
Clostridium perfringens enterotoxin
Descriptor: GLYCEROL, Heat-labile enterotoxin B chain, UNKNOWN ATOM OR ION
Authors:Kitadokoro, K, Nishimura, K, Kamitani, S, Kimura, J, Fukui, A, Abe, H, Horiguchi, Y.
Deposit date:2010-08-12
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal Structure of Clostridium perfringens Enterotoxin Displays Features of {beta}-Pore-forming Toxins
J.Biol.Chem., 286, 2011
5X17
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BU of 5x17 by Molmil
Crystal structure of murine CK1d in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, SULFATE ION
Authors:Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T.
Deposit date:2017-01-25
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock
Mol. Cell, 67, 2017
7DCF
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BU of 7dcf by Molmil
Crystal structure of EHMT2 SET domain in complex with compound 10
Descriptor: 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
Authors:Suzuki, M, Katayama, K.
Deposit date:2020-10-26
Release date:2021-02-10
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of DS79932728: A Potent, Orally Available G9a/GLP Inhibitor for Treating beta-Thalassemia and Sickle Cell Disease.
Acs Med.Chem.Lett., 12, 2021
6T9C
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BU of 6t9c by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1346 (3a)
Descriptor: 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2019-10-27
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into PPAR gamma Phosphorylation and Its Inhibition Mechanism.
J.Med.Chem., 63, 2020
8EEX
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BU of 8eex by Molmil
Cas7-11 in complex with Csx29
Descriptor: Cas7-11, Csx29, ZINC ION, ...
Authors:Demircioglu, F.E, Wilkinson, M.E, Strecker, J, Li, D, Faure, G, Macrae, R.K, Zhang, F.
Deposit date:2022-09-07
Release date:2022-11-16
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:RNA-activated protein cleavage with a CRISPR-associated endopeptidase.
Science, 378, 2022
8EEY
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BU of 8eey by Molmil
Cas7-11 in complex with DR-mismatched target RNA, Csx29 and Csx30
Descriptor: Cas7-11, Csx29, Csx30, ...
Authors:Demircioglu, F.E, Wilkinson, M.E, Strecker, J, Li, D, Faure, G, Macrae, R.K, Zhang, F.
Deposit date:2022-09-07
Release date:2022-11-16
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:RNA-activated protein cleavage with a CRISPR-associated endopeptidase.
Science, 378, 2022
2GLT
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BU of 2glt by Molmil
STRUCTURE OF ESCHERICHIA COLI GLUTATHIONE SYNTHETASE AT PH 6.0.
Descriptor: GLUTATHIONE BIOSYNTHETIC LIGASE
Authors:Matsuda, K, Yamaguchi, H, Kato, H, Nishioka, T, Katsube, Y, Oda, J.
Deposit date:1995-05-16
Release date:1995-07-31
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of glutathione synthetase at optimal pH: domain architecture and structural similarity with other proteins.
Protein Eng., 9, 1996
3ACA
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BU of 3aca by Molmil
Crystal structure of human NUDT5 complexed with 8-oxo-dADP and manganese
Descriptor: 8-oxo-7,8-dihydro-2'-deoxy-adenosine-5'-diphosphate, ADP-sugar pyrophosphatase, MANGANESE (II) ION
Authors:Arimori, T, Yamagata, Y.
Deposit date:2009-12-30
Release date:2011-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Diverse substrate recognition and hydrolysis mechanisms of human NUDT5
Nucleic Acids Res., 39, 2011
3AC9
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BU of 3ac9 by Molmil
Crystal structure of human NUDT5 complexed with 8-oxo-dGDP and manganese
Descriptor: 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate), ADP-sugar pyrophosphatase, MANGANESE (II) ION
Authors:Arimori, T, Yamagata, Y.
Deposit date:2009-12-30
Release date:2011-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Diverse substrate recognition and hydrolysis mechanisms of human NUDT5
Nucleic Acids Res., 39, 2011
7E7F
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BU of 7e7f by Molmil
Human CYP11B1 mutant in complex with metyrapone
Descriptor: CHOLIC ACID, Cytochrome P450 11B1, mitochondrial, ...
Authors:Mukai, K, Sugimoto, H, Reiko, S, Matsuura, T, Hishiki, T, Kagawa, N.
Deposit date:2021-02-26
Release date:2022-01-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Spatially restricted substrate-binding site of cortisol-synthesizing CYP11B1 limits multiple hydroxylations and hinders aldosterone synthesis.
Curr Res Struct Biol, 3, 2021
6ZLY
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BU of 6zly by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand NV1362 (7a)
Descriptor: (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D.
Deposit date:2020-07-01
Release date:2020-11-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities.
J.Med.Chem., 63, 2020
6RS2
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BU of 6rs2 by Molmil
Structure of the Bateman module of human CNNM4.
Descriptor: Metal transporter CNNM4
Authors:Corral-Rodriguez, M.A, Stuiver, M, Gomez-Garcia, I, Oyenarte, I, Gimenez, P, Ereno-Orbea, J, Diercks, T, Muller, D, Martinez-Cruz, L.A.
Deposit date:2019-05-21
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.694 Å)
Cite:Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
3AY5
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BU of 3ay5 by Molmil
Crystal structure of HHM (human homologue of murine maternal Id-like molecule)
Descriptor: Cyclin-D1-binding protein 1
Authors:Seto, A, Ishitani, R, Nureki, O.
Deposit date:2011-04-28
Release date:2012-03-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a dominant-negative helix-loop-helix transcriptional regulator suggests mechanisms of autoinhibition.
Embo J., 31, 2012
6G52
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BU of 6g52 by Molmil
CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4
Descriptor: Metal transporter CNNM4
Authors:Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A.
Deposit date:2018-03-28
Release date:2019-04-10
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (3.691 Å)
Cite:Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
1B4U
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BU of 1b4u by Molmil
PROTOCATECHUATE 4,5-DIOXYGENASE (LIGAB) IN COMPLEX WITH PROTOCATECHUATE (PCA)
Descriptor: 3,4-DIHYDROXYBENZOIC ACID, FE (III) ION, PROTOCATECHUATE 4,5-DIOXYGENASE
Authors:Sugimoto, K, Senda, T, Mitsui, Y.
Deposit date:1998-12-29
Release date:1999-08-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of an aromatic ring opening dioxygenase LigAB, a protocatechuate 4,5-dioxygenase, under aerobic conditions.
Structure Fold.Des., 7, 1999
1BOU
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BU of 1bou by Molmil
THREE-DIMENSIONAL STRUCTURE OF LIGAB
Descriptor: 4,5-DIOXYGENASE ALPHA CHAIN, 4,5-DIOXYGENASE BETA CHAIN, FE (III) ION
Authors:Sugimoto, K, Senda, T, Fukuda, M, Mitsui, Y.
Deposit date:1998-08-06
Release date:1999-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of an aromatic ring opening dioxygenase LigAB, a protocatechuate 4,5-dioxygenase, under aerobic conditions.
Structure, 7, 1999
1F88
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BU of 1f88 by Molmil
CRYSTAL STRUCTURE OF BOVINE RHODOPSIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MERCURY (II) ION, RETINAL, ...
Authors:Okada, T, Palczewski, K, Stenkamp, R.E, Miyano, M.
Deposit date:2000-06-29
Release date:2000-08-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of rhodopsin: A G protein-coupled receptor.
Science, 289, 2000
1HCY
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BU of 1hcy by Molmil
CRYSTAL STRUCTURE OF HEXAMERIC HAEMOCYANIN FROM PANULIRUS INTERRUPTUS REFINED AT 3.2 ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARTHROPODAN HEMOCYANIN, COPPER (II) ION
Authors:Volbeda, A, Hol, W.G.J.
Deposit date:1991-05-15
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of hexameric haemocyanin from Panulirus interruptus refined at 3.2 A resolution.
J.Mol.Biol., 209, 1989
1HC1
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BU of 1hc1 by Molmil
CRYSTAL STRUCTURE OF HEXAMERIC HAEMOCYANIN FROM PANULIRUS INTERRUPTUS REFINED AT 3.2 ANGSTROMS RESOLUTION
Descriptor: ARTHROPODAN HEMOCYANIN, COPPER (II) ION
Authors:Volbeda, A, Hol, W.G.J.
Deposit date:1991-05-15
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of hexameric haemocyanin from Panulirus interruptus refined at 3.2 A resolution.
J.Mol.Biol., 209, 1989
3VYV
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BU of 3vyv by Molmil
Crystal structure of subtilisin NAT at 1.36
Descriptor: CALCIUM ION, GLYCEROL, Subtilisin NAT
Authors:Ushijima, H, Fuchita, N, Kajiwara, T, Motoshima, H, Ueno, G, Watanabe, K.
Deposit date:2012-10-03
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal structure of subtilisin NAT at 1.36
TO BE PUBLISHED
6AHP
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BU of 6ahp by Molmil
Structure of the 58-167 fragment of FliL
Descriptor: Flagellar protein FliL
Authors:Takekawa, N, Isumi, M, Sakuma, M, Kojima, S, Homma, M, Imada, K.
Deposit date:2018-08-20
Release date:2019-03-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure ofVibrioFliL, a New Stomatin-like Protein That Assists the Bacterial Flagellar Motor Function.
MBio, 10, 2019

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