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PDB: 12889 results
7MNA
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BU of 7mna by Molmil
PTP1B 1-284 F225Y-R199N in complex with TCS401
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MNC
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BU of 7mnc by Molmil
PTP1B L204A
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MND
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BU of 7mnd by Molmil
PTP1B L204A in complex with TCS401
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MNF
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BU of 7mnf by Molmil
PTP1B P206G in complex with TCS401
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MNE
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BU of 7mne by Molmil
PTP1B P206G mutation, open state
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MNB
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BU of 7mnb by Molmil
PTP1B F225Y-R199N-L195R in complex with TCS401
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MOU
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BU of 7mou by Molmil
PTP1B F225Y-R199N-L195R
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-05-03
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MOW
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BU of 7mow by Molmil
PTP1B F225I in complex with TCS401
Descriptor: 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-05-03
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MOV
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BU of 7mov by Molmil
PTP1B 1-301 F225Y-R199N mutations
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-05-03
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
7MKZ
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BU of 7mkz by Molmil
PTP1B F225Y mutant, open state
Descriptor: CHLORIDE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
Authors:Torgeson, K.R, Page, R, Peti, W.
Deposit date:2021-04-27
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Conserved conformational dynamics determine enzyme activity.
Sci Adv, 8, 2022
8AK5
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BU of 8ak5 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment pyroglutamic acid
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKB
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BU of 8akb by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 4-nitrocatechol
Descriptor: 1,2-ETHANEDIOL, 4-NITROCATECHOL, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKF
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BU of 8akf by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 3-aminobenzamide
Descriptor: 1,2-ETHANEDIOL, 3-aminobenzamide, CHLORIDE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AK6
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BU of 8ak6 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment sulfamethoxazole
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AK9
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BU of 8ak9 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment Isatin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKD
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BU of 8akd by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 1-methyl-L-histidine
Descriptor: 4-METHYL-HISTIDINE, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AK7
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BU of 8ak7 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 6-O-methylguanine
Descriptor: 1,2-ETHANEDIOL, 6-O-methylguanine, CHLORIDE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKC
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BU of 8akc by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 3-(acetylamino)thiophene-2-carboxylic acid
Descriptor: 3-(acetylamino)thiophene-2-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKA
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BU of 8aka by Molmil
Human Sirt6 in complex with ADP-ribose and fragment cis-resveratrol
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKE
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BU of 8ake by Molmil
Human Sirt6 in complex with ADP-ribose and fragment nicotinamide
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
1A0T
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BU of 1a0t by Molmil
SUCROSE-SPECIFIC PORIN, WITH BOUND SUCROSE MOLECULES
Descriptor: CALCIUM ION, SUCROSE-SPECIFIC PORIN, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Diederichs, K, Welte, W.
Deposit date:1997-12-08
Release date:1998-03-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the sucrose-specific porin ScrY from Salmonella typhimurium and its complex with sucrose.
Nat.Struct.Biol., 5, 1998
8AK8
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BU of 8ak8 by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 4-hydroxybenzamide
Descriptor: 4-HYDROXYBENZAMIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
8AKG
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BU of 8akg by Molmil
Human Sirt6 in complex with ADP-ribose and fragment 4-amino-6-chlorobenzene-1,3-disulfonamide
Descriptor: 1,2-ETHANEDIOL, 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, CHLORIDE ION, ...
Authors:You, W, Steegborn, C.
Deposit date:2022-07-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Development of novel Sirtuin 6 inhibitors and activators based on a protein crystallography-based fragment screen
To Be Published
5WDH
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BU of 5wdh by Molmil
Motor domain of human kinesin family member C1
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIFC1, MAGNESIUM ION, ...
Authors:Zhu, H, Tempel, W, He, H, Shen, Y, Wang, J, Brothers, G, Landry, R, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2017-07-05
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.248 Å)
Cite:Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
8AMC
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BU of 8amc by Molmil
Crystal Structure of cat allergen Fel d 4
Descriptor: Allergen Fel d 4, SULFATE ION
Authors:Schooltink, L, Sagmeister, T, Gottstein, N, Pavkov-Keller, T, Keller, W.
Deposit date:2022-08-03
Release date:2023-08-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal Structure of cat allergen Fel d 4
To Be Published

222036

数据于2024-07-03公开中

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