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3MIY
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BU of 3miy by Molmil
X-ray crystal structure of ITK complexed with sunitinib
Descriptor: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, Tyrosine-protein kinase ITK/TSK
Authors:Kuglstatter, A, Villasenor, A.G.
Deposit date:2010-04-12
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structures of IL-2-inducible T cell kinase complexed with inhibitors: insights into rational drug design and activity regulation.
Chem.Biol.Drug Des., 76, 2010
2JR7
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BU of 2jr7 by Molmil
Solution structure of human DESR1
Descriptor: DPH3 homolog, ZINC ION
Authors:Wu, F, Wu, J, Shi, Y.
Deposit date:2007-06-21
Release date:2008-03-25
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structure of human DESR1, a CSL zinc-binding protein
Proteins, 71, 2008
2W4D
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BU of 2w4d by Molmil
Acylphosphatase variant G91A from Pyrococcus horikoshii
Descriptor: ACYLPHOSPHATASE, PHOSPHATE ION, POTASSIUM ION
Authors:Lam, S.Y, Wong, K.B.
Deposit date:2008-11-25
Release date:2009-12-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A Rigidifying Salt-Bridge Favors the Activity of Thermophilic Enzyme at High Temperatures at the Expense of Low-Temperature Activity.
Plos Biol., 9, 2011
7V61
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BU of 7v61 by Molmil
ACE2 -Targeting Monoclonal Antibody as Potent and Broad-Spectrum Coronavirus Blocker
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3E8, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2021-08-18
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:ACE2-targeting monoclonal antibody as potent and broad-spectrum coronavirus blocker.
Signal Transduct Target Ther, 6, 2021
6XSZ
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BU of 6xsz by Molmil
The structure of the M60 catalytic domain from Clostridium perfringens ZmpC
Descriptor: 1,2-ETHANEDIOL, ZINC ION, ZmpC Glycopeptidase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2020-07-16
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular insights into architecturally complex glycopeptidases
Proc.Natl.Acad.Sci.USA, 2021
6XT1
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BU of 6xt1 by Molmil
The structure of the M60 catalytic domain from Clostridium perfringens ZmpC in complex the sialyl T antigen
Descriptor: 1,2-ETHANEDIOL, SERINE, ZINC ION, ...
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2020-07-16
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular insights into architecturally complex glycopeptidases
Proc.Natl.Acad.Sci.USA, 2021
6XSX
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BU of 6xsx by Molmil
The structure of the catalytic module of the metalloprotease ZmpA from Clostridium perfringens
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ZmpA Glycopeptidase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2020-07-16
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular insights into architecturally complex glycopeptidases
Proc.Natl.Acad.Sci.USA, 2021
5WQ6
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BU of 5wq6 by Molmil
Crystal Structure of hMNDA-PYD with MBP tag
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, MBP tagged hMNDA-PYD, ...
Authors:Jin, T.C, Xiao, T.S.
Deposit date:2016-11-23
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Design of an expression system to enhance MBP-mediated crystallization
Sci Rep, 7, 2017
5WC8
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BU of 5wc8 by Molmil
Structure of a bacterial polysialyltransferase at 2.75 Angstrom resolution
Descriptor: BROMIDE ION, SiaD
Authors:Worrall, L.J, Lizak, C, Strynadka, N.C.J.
Deposit date:2017-06-29
Release date:2017-08-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:X-ray crystallographic structure of a bacterial polysialyltransferase provides insight into the biosynthesis of capsular polysialic acid.
Sci Rep, 7, 2017
5WC6
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BU of 5wc6 by Molmil
Structure of a bacterial polysialyltransferase at 2.2 Angstrom resolution
Descriptor: SULFATE ION, SiaD
Authors:Worrall, L.J, Lizak, C, Strynadka, N.C.J.
Deposit date:2017-06-29
Release date:2017-08-02
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray crystallographic structure of a bacterial polysialyltransferase provides insight into the biosynthesis of capsular polysialic acid.
Sci Rep, 7, 2017
7A4P
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BU of 7a4p by Molmil
Structure of small high-light grown Chlorella ohadii photosystem I
Descriptor: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (3R)-beta,beta-caroten-3-ol, ...
Authors:Caspy, I, Nelson, N, Nechushtai, R, Shkolnisky, Y, Neumann, E.
Deposit date:2020-08-20
Release date:2021-07-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
6ZZY
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BU of 6zzy by Molmil
Structure of high-light grown Chlorella ohadii photosystem I
Descriptor: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ...
Authors:Caspy, I, Nelson, N, Nechushtai, R, Shkolnisky, Y, Neumann, E.
Deposit date:2020-08-05
Release date:2021-07-28
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
6ZZX
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BU of 6zzx by Molmil
Structure of low-light grown Chlorella ohadii Photosystem I
Descriptor: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (3R)-beta,beta-caroten-3-ol, ...
Authors:Caspy, I, Nelson, N, Nechushtai, R, Neumann, E, Shkolnisky, Y.
Deposit date:2020-08-05
Release date:2021-07-28
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
4W7P
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BU of 4w7p by Molmil
Crystal Structure of ROCK 1 bound to YB-15-QD37
Descriptor: N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine, Rho-associated protein kinase 1
Authors:Sprague, E.R.
Deposit date:2014-08-22
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension.
Bioorg.Med.Chem.Lett., 24, 2014
7UW9
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BU of 7uw9 by Molmil
Citrus V-ATPase State 1, H in contact with subunit a
Descriptor: V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit AP1 fragment, V-type proton ATPase subunit AP2 fragment, ...
Authors:Keon, K.A, Abdelaziz, R.A, Schulze, W.X, Schumacher, K, Rubinstein, J.L.
Deposit date:2022-05-03
Release date:2022-07-06
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structure of V-ATPase from citrus fruit.
Structure, 30, 2022
7UWB
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BU of 7uwb by Molmil
Citrus V-ATPase State 2, Highest-Resolution Class
Descriptor: V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit AP1 fragment, V-type proton ATPase subunit AP2 fragment, ...
Authors:Keon, K.A, Abdelaziz, R.A, Schulze, W.X, Schumacher, K, Rubinstein, J.L.
Deposit date:2022-05-03
Release date:2022-07-06
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of V-ATPase from citrus fruit.
Structure, 30, 2022
7UWA
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BU of 7uwa by Molmil
Citrus V-ATPase State 1, H in contact with subunits AB
Descriptor: V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit AP1 fragment, V-type proton ATPase subunit AP2 fragment, ...
Authors:Abdelaziz, R.A, Keon, K.A, Schulze, W.X, Schumacher, K, Rubinstein, J.L.
Deposit date:2022-05-03
Release date:2022-07-06
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure of V-ATPase from citrus fruit.
Structure, 30, 2022
7UWD
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BU of 7uwd by Molmil
Citrus V-ATPase State 2, H in contact with subunits AB
Descriptor: V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit, V-type proton ATPase subunit AP1 fragment, ...
Authors:Keon, K.A, Abdelaziz, R.A, Schulze, W.X, Schumacher, K, Rubinstein, J.L.
Deposit date:2022-05-03
Release date:2022-07-06
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of V-ATPase from citrus fruit.
Structure, 30, 2022
7UWC
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BU of 7uwc by Molmil
Citrus V-ATPase State 2, H in contact with subunit a
Descriptor: V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit AP1 fragment, V-type proton ATPase subunit AP2 fragment, ...
Authors:Keon, K.A, Abdelaziz, R.A, Schulze, W.X, Schumacher, K, Rubinstein, J.L.
Deposit date:2022-05-03
Release date:2022-07-06
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of V-ATPase from citrus fruit.
Structure, 30, 2022
5KD2
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BU of 5kd2 by Molmil
BT_4244 metallopeptidase from Bacteroides thetaiotaomicron
Descriptor: 1,2-ETHANEDIOL, ZINC ION, metallopeptidase
Authors:Noach, I, Boraston, A.B.
Deposit date:2016-06-07
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KDJ
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BU of 5kdj by Molmil
ZmpB metallopeptidase from Clostridium perfringens
Descriptor: F5/8 type C domain protein, GLYCEROL, SODIUM ION, ...
Authors:Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B.
Deposit date:2016-06-08
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KDU
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BU of 5kdu by Molmil
ZmpB metallopeptidase in complex with a2,6-Sialyl T-antigen
Descriptor: 1,2-ETHANEDIOL, F5/8 type C domain protein, SERINE, ...
Authors:Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B.
Deposit date:2016-06-08
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KDN
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BU of 5kdn by Molmil
ZmpB metallopeptidase from Clostridium perfringens
Descriptor: 1,2-ETHANEDIOL, F5/8 type C domain protein, ZINC ION
Authors:Noach, I, Ficko-Blean, E, Stuart, C, Boraston, A.B.
Deposit date:2016-06-08
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KDX
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BU of 5kdx by Molmil
IMPa metallopeptidase in complex with T-antigen
Descriptor: 1,2-ETHANEDIOL, Metallopeptidase, PHOSPHATE ION, ...
Authors:Noach, I, Boraston, A.B.
Deposit date:2016-06-08
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KD8
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BU of 5kd8 by Molmil
BT_4244 metallopeptidase in complex with Tn antigen.
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Metallopeptidase, NICKEL (II) ION, ...
Authors:Noach, I, Boraston, A.B.
Deposit date:2016-06-07
Release date:2017-01-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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