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6U4Z
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BU of 6u4z by Molmil
Crystal Structure of a family 76 glycoside hydrolase from a bovine Bacteroides thetaiotaomicron strain
Descriptor: 1,2-ETHANEDIOL, Alpha-1,6-mannanase, HEXAETHYLENE GLYCOL
Authors:Jones, D.R, Abbott, D.W.
Deposit date:2019-08-26
Release date:2020-04-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Analysis of Active Site Architecture and Reaction Product Linkage Chemistry Reveals a Conserved Cleavage Substrate for an Endo-alpha-mannanase within Diverse Yeast Mannans.
J.Mol.Biol., 432, 2020
6OJK
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BU of 6ojk by Molmil
Structure of YePL2A K291W in Complex with Tetragalacturonic Acid
Descriptor: 1,2-ETHANEDIOL, Periplasmic pectate lyase, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid
Authors:Jones, D.R, Abbott, D.W.
Deposit date:2019-04-11
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A surrogate structural platform informed by ancestral reconstruction and resurrection of a putative carbohydrate binding module hybrid illuminates the neofunctionalization of a pectate lyase.
J.Struct.Biol., 207, 2019
6OJL
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BU of 6ojl by Molmil
Structure of YePL2A R194K in Complex with Pentagalacturonic Acid
Descriptor: 1,2-ETHANEDIOL, Periplasmic pectate lyase, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid
Authors:Jones, D.R, Abbott, D.W.
Deposit date:2019-04-11
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A surrogate structural platform informed by ancestral reconstruction and resurrection of a putative carbohydrate binding module hybrid illuminates the neofunctionalization of a pectate lyase.
J.Struct.Biol., 207, 2019
5U22
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BU of 5u22 by Molmil
Structure of N2152 from Neocallimastix frontalis
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IODIDE ION, ...
Authors:Jones, D.R, Abbott, D.W.
Deposit date:2016-11-29
Release date:2017-06-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Discovery and characterization of family 39 glycoside hydrolases from rumen anaerobic fungi with polyspecific activity on rare arabinosyl substrates.
J. Biol. Chem., 292, 2017
3OQ4
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BU of 3oq4 by Molmil
Crystal Structure of motif N of Saccharomyces cerevisiae Dbf4
Descriptor: DBF4
Authors:Matthews, L.A, Jones, D.R, Prasad, A.A, Duncker, B.P, Guarne, A.
Deposit date:2010-09-02
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Saccharomyces cerevisiae Dbf4-motif N
To be Published
3OQ0
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BU of 3oq0 by Molmil
Crystal Structure of motif N of Saccharomyces cerevisiae Dbf4
Descriptor: DBF4
Authors:Matthews, L.A, Jones, D.R, Prasad, A.A, Duncker, B.P, Guarne, A.
Deposit date:2010-09-02
Release date:2011-09-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of Saccharomyces cerevisiae Dbf4-motif N
To be Published
3QBZ
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BU of 3qbz by Molmil
Crystal structure of the Rad53-recognition domain of Saccharomyces cerevisiae Dbf4
Descriptor: DDK kinase regulatory subunit DBF4, SULFATE ION
Authors:Matthews, L.A, Jones, D.R, Prasad, A.A, Duncker, B.P, Guarne, A.
Deposit date:2011-01-14
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.692 Å)
Cite:Saccharomyces cerevisiae Dbf4 has unique fold necessary for interaction with Rad53 kinase.
J.Biol.Chem., 287, 2012
8SS8
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BU of 8ss8 by Molmil
Structure of AMPA receptor GluA2 complex with auxiliary subunit TARP gamma-5 bound to competitive antagonist ZK and antiepileptic drug perampanel (closed state)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, CHOLESTEROL, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SS9
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BU of 8ss9 by Molmil
Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunit TARP gamma-5 bound to competitive antagonist ZK and antiepileptic drug perampanel (closed state)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, CHOLESTEROL, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SS4
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BU of 8ss4 by Molmil
Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunits TARP gamma-5 and cornichon-2 (apo state)
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-5 subunit chimera, Protein cornichon homolog 2, ...
Authors:Yen, L.Y, Gangwar, S.P, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SS7
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BU of 8ss7 by Molmil
Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK, channel blocker spermidine and antiepileptic drug perampanel (closed state)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, CHOLESTEROL, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SS2
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BU of 8ss2 by Molmil
Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK and channel blocker spermidine (closed state)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, Digitonin, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SS3
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BU of 8ss3 by Molmil
Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK and channel blocker spermidine (closed state)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, Digitonin, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SSA
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BU of 8ssa by Molmil
Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to glutamate and channel blocker spermidine (desensitized state)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SS5
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BU of 8ss5 by Molmil
Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunit TARP gamma-5 (apo state)
Descriptor: Glutamate receptor 2, Voltage-dependent calcium channel gamma-5 subunit chimera, SODIUM ION
Authors:Yen, L.Y, Gangwar, S.P, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SS6
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BU of 8ss6 by Molmil
Structure of AMPA receptor GluA2 complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to competitive antagonist ZK, channel blocker spermidine and antiepileptic drug perampanel (closed state)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(6'-oxo-1'-phenyl[1',6'-dihydro[2,3'-bipyridine]]-5'-yl)benzonitrile, CHOLESTEROL, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
8SSB
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BU of 8ssb by Molmil
Structure of LBD-TMD of AMPA receptor GluA2 in complex with auxiliary subunits TARP gamma-5 and cornichon-2 bound to glutamate and channel blocker spermidine (desensitized state)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Gangwar, S.P, Yen, L.Y, Yelshanskaya, M.V, Sobolevsky, A.I.
Deposit date:2023-05-08
Release date:2023-09-06
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
5ANT
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BU of 5ant by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
Descriptor: 2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
Authors:Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
5ANS
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BU of 5ans by Molmil
Potent and selective inhibitors of MTH1 probe its role in cancer cell survival
Descriptor: 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE
Authors:Kettle, J.G, Alwan, H, Bista, M, Breed, J, Kack, H, Eckersley, K, Foote, K.M, Fillery, S, Goodwin, L, Jones, D, Lau, A, Nissink, J.W.M, Read, J, Scott, J, Taylor, B, Walker, G, Wissler, L.
Deposit date:2015-09-08
Release date:2016-03-02
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Potent and Selective Inhibitors of Mth1 Probe its Role in Cancer Cell Survival.
J.Med.Chem., 59, 2016
8BHF
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BU of 8bhf by Molmil
Cryo-EM structure of stalled rabbit 80S ribosomes in complex with human CCR4-NOT and CNOT4
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S11, ...
Authors:Absmeier, E, Chandrasekaran, V, O'Reilly, F.J, Stowell, J.A.W, Rappsilber, J, Passmore, L.A.
Deposit date:2022-10-31
Release date:2023-09-06
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Modulation of GluA2-gamma 5 synaptic complex desensitization, polyamine block and antiepileptic perampanel inhibition by auxiliary subunit cornichon-2.
Nat.Struct.Mol.Biol., 30, 2023
7U9U
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BU of 7u9u by Molmil
Crystal structure of human D-amino acid oxidase in complex with inhibitor
Descriptor: (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile, BENZOIC ACID, D-amino-acid oxidase, ...
Authors:Skene, R.J, Bell, J.A.
Deposit date:2022-03-11
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022
7U9S
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BU of 7u9s by Molmil
Crystal structure of human D-amino acid oxidase in complex with inhibitor
Descriptor: 5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Skene, R.J, Bell, J.A.
Deposit date:2022-03-11
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022
4GE6
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BU of 4ge6 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 7
Descriptor: N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithyl-3-{[(4-hydroxy-3-methoxyphenyl)acetyl]amino}-D-alaninamide, Tyrosine-protein phosphatase non-receptor type 9
Authors:Zhang, Z.-Y, Liu, S, Zhang, S.
Deposit date:2012-08-01
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012
4GE2
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BU of 4ge2 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 3
Descriptor: N-acetyl-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide, Tyrosine-protein phosphatase non-receptor type 9
Authors:Zhang, Z.-Y, Liu, S, Zhang, S.
Deposit date:2012-08-01
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012
4GE5
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BU of 4ge5 by Molmil
Crystal structure of human protein tyrosine phosphatase PTPN9 (MEG2) complex with compound 5
Descriptor: N-(4-bromo-3-methylbenzoyl)-4-[difluoro(phosphono)methyl]-L-phenylalanyl-N~5~-(3-iodobenzoyl)-L-ornithinamide, Tyrosine-protein phosphatase non-receptor type 9
Authors:Zhang, Z.-Y, Liu, S, Zhang, S.
Deposit date:2012-08-01
Release date:2012-10-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Highly Selective and Potent PTP-MEG2 Inhibitor with Therapeutic Potential for Type 2 Diabetes.
J.Am.Chem.Soc., 134, 2012

 

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