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6WFJ
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BU of 6wfj by Molmil
Crystal structures of human E-NPP 1: apo
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Peat, T.S, Dennis, M, Newman, J.
Deposit date:2020-04-03
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
5LOG
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BU of 5log by Molmil
Crystal Structure of SafC from Myxococcus xanthus bound to SAM
Descriptor: CHLORIDE ION, L-DOPAMINE, MAGNESIUM ION, ...
Authors:Gerhardt, S, Netzer, J, Einsle, O.
Deposit date:2016-08-09
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Functional and structural characterisation of a bacterial O-methyltransferase and factors determining regioselectivity.
FEBS Lett., 591, 2017
8G3C
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BU of 8g3c by Molmil
Crystal structure of human WDR5 in complex with N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide (compound 1, WDR5-MYC PPI inhibitor)
Descriptor: N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide, WD repeat-containing protein 5
Authors:Zhao, M.
Deposit date:2023-02-07
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
6WGM
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BU of 6wgm by Molmil
Crystal structure of a marine metagenome TRAP solute binding protein specific for pyroglutamate (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, scf7180008839099) in complex with co-purified pyroglutamate
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Fedorov, E, Vetting, M.W, Hogle, S.L, Dupont, C.L, Almo, S.C, Ghosh, A.
Deposit date:2020-04-05
Release date:2020-04-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, GOS_140), in complex with co-purified pyroglutamate
To Be Published
5LPJ
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BU of 5lpj by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM1
Descriptor: CREB-binding protein, ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Authors:Huegle, M, Wohlwend, D.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
6WET
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BU of 6wet by Molmil
Crystal structures of human E-NPP 1: apo
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Peat, T.S, Dennis, M, Newman, J.
Deposit date:2020-04-02
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of human ENPP1 in apo and bound forms.
Acta Crystallogr D Struct Biol, 76, 2020
6WHB
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BU of 6whb by Molmil
MEKK1 TOG domain (548-867)
Descriptor: ACETATE ION, GLYCEROL, Mitogen-activated protein kinase kinase kinase 1
Authors:Filipcik, P, Mace, P.D.
Deposit date:2020-04-07
Release date:2020-08-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.90032053 Å)
Cite:A cryptic tubulin-binding domain links MEKK1 to curved tubulin protomers.
Proc.Natl.Acad.Sci.USA, 117, 2020
5LSM
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BU of 5lsm by Molmil
Crystal structure of nitronate monooxygenase (SO_0471) from Shewanella oneidensis MR-1
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent nitronate monooxygenase, GLYCEROL
Authors:Baker, G.E, Race, P.R.
Deposit date:2016-09-04
Release date:2016-09-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of nitronate monooxygenase (SO_0471) from Shewanella oneidensis MR-1
To Be Published
8I37
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BU of 8i37 by Molmil
Helicobacter pylori G6PDH
Descriptor: Glucose-6-phosphate 1-dehydrogenase
Authors:Zhou, N, Gao, L.Z.
Deposit date:2023-01-16
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Inorganic polysulfide kills Helicobacter pylori by inactivating G6PDH via cysteine polysulfidation
To Be Published
5LNR
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BU of 5lnr by Molmil
Crystal structure of Arabidopsis thaliana Pdx1-PLP complex
Descriptor: GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, Pyridoxal 5'-phosphate synthase subunit PDX1.3
Authors:Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I.
Deposit date:2016-08-06
Release date:2017-01-18
Last modified:2017-02-22
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis.
Nat. Chem. Biol., 13, 2017
5LTU
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BU of 5ltu by Molmil
Crystal Structure of NUDT4A- Diphosphoinositol polyphosphate phosphohydrolase 2
Descriptor: 1,2-ETHANEDIOL, Diphosphoinositol polyphosphate phosphohydrolase 2
Authors:Srikannathasan, V, Nunez, C.A, Tallant, C, Siejka, P, Mathea, S, Newman, J, Strain-Damerell, C, Elkins, J.M, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.
Deposit date:2016-09-07
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal Structure of Human NUDT4A- Diphosphoinositol polyphosphate phosphohydrolase 2
To Be Published
8HZY
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BU of 8hzy by Molmil
The crystal structure of a Radical SAM Enzyme DesII
Descriptor: DesII, IRON/SULFUR CLUSTER, METHIONINE
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2023-01-10
Release date:2024-07-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.039788 Å)
Cite:Mechanistic Insights from the Crystal Structure and Computational Analysis of the Radical SAM Deaminase DesII.
Adv Sci, 11, 2024
8HYR
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BU of 8hyr by Molmil
Crystal structure of human KARS apo
Descriptor: Lysine--tRNA ligase
Authors:Zhang, X, Wang, Y.
Deposit date:2023-01-07
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of human KARS apo
To Be Published
5LPK
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BU of 5lpk by Molmil
Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1
Descriptor: 1,2-ETHANEDIOL, Histone acetyltransferase p300, SULFATE ION, ...
Authors:Huegle, M, Wohlwend, D.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
4Z7H
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BU of 4z7h by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - complex with imidazopyridine compound 3
Descriptor: 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide, SULFATE ION, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Joshi, A, Bayliss, R.
Deposit date:2015-04-07
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
8HZV
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BU of 8hzv by Molmil
The crystal structure of a Radical SAM Enzyme DesII
Descriptor: GLYCEROL, IRON/SULFUR CLUSTER, METHIONINE, ...
Authors:Hou, X.L, Zhou, J.H.
Deposit date:2023-01-09
Release date:2024-07-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.33001685 Å)
Cite:Mechanistic Insights from the Crystal Structure and Computational Analysis of the Radical SAM Deaminase DesII.
Adv Sci, 11, 2024
8II8
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BU of 8ii8 by Molmil
X-ray crystal structure of pink-colored protein from Pleurotus salmoneostramineus in complex with natural chromophore
Descriptor: (2E,5E,7Z,9E,11E,13E,15Z,17E,19Z,21E,23E)-24-methyl-25-oxohexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid, ACETYL GROUP, Chromoprotein
Authors:Ihara, M, Fukuta, Y, Shirasaka, N.
Deposit date:2023-02-24
Release date:2024-08-14
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structure of the Native Chromoprotein from Pleurotus salmoneostramineus Provides Insights into the Pigmentation Mechanism.
J.Agric.Food Chem., 72, 2024
5LVT
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BU of 5lvt by Molmil
Structure of HU protein from Lactococcus lactis
Descriptor: ACETATE ION, DNA-binding protein HU, SULFATE ION
Authors:Le Meur, R, Coste, F, Castaing, B.
Deposit date:2016-09-14
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of HU protein from Lactococcus lactis
To Be Published
5KDR
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BU of 5kdr by Molmil
The crystal structure of carboxyltransferase from Staphylococcus Aureus bound to the antimicrobial agent moiramide B.
Descriptor: 1,2-ETHANEDIOL, Acetyl-coenzyme A carboxylase carboxyl transferase subunit alpha, Acetyl-coenzyme A carboxylase carboxyl transferase subunit beta, ...
Authors:Silvers, M.A, Pakhomova, S, Neau, D, Silvers, W.C, Anzalone, N, Taylor, C.M, Waldrop, G.L.
Deposit date:2016-06-08
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Carboxyltransferase from Staphylococcus aureus Bound to the Antibacterial Agent Moiramide B.
Biochemistry, 55, 2016
8I6I
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BU of 8i6i by Molmil
Crystal structure of cyclohexylamine oxidase from Acinetobacter sp. YT-02
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Han, Z, Yan, D.
Deposit date:2023-01-28
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal structure of cyclohexylamine oxidase from Acinetobacter sp. YT-02
To Be Published
8IK6
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BU of 8ik6 by Molmil
pUbl depleted Parkin complex with pUbiquitin
Descriptor: E3 ubiquitin-protein ligase parkin, SULFATE ION, Ubiquitin, ...
Authors:Lenka, D.R, Kumar, A.
Deposit date:2023-02-28
Release date:2024-09-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Additional feedforward mechanism of Parkin activation via binding of phospho-UBL and RING0 in trans.
Elife, 13, 2024
8IKM
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BU of 8ikm by Molmil
Trans complex of phospho parkin
Descriptor: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase parkin, GLYCEROL, ...
Authors:Lenka, D.R, Kumar, A.
Deposit date:2023-02-28
Release date:2024-09-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Additional feedforward mechanism of Parkin activation via binding of phospho-UBL and RING0 in trans.
Elife, 13, 2024
8IKV
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BU of 8ikv by Molmil
pUbl depleted phospho-Parkin(K211N,R163D) in complex with pUb
Descriptor: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase parkin, Ubiquitin, ...
Authors:Lenka, D.R, Kumar, A.
Deposit date:2023-03-01
Release date:2024-09-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Additional feedforward mechanism of Parkin activation via binding of phospho-UBL and RING0 in trans.
Elife, 13, 2024
4YZ6
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BU of 4yz6 by Molmil
Crystal Structure of Myc3[44-238] from Arabidopsis in complex with Jaz1 peptide [200-221]
Descriptor: Protein TIFY 10A, Transcription factor MYC3
Authors:Ke, J, Zhang, F, Brunzelle, J, Xu, H.E, Melcher, K, HE, S.Y.
Deposit date:2015-03-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling.
Nature, 525, 2015
8IKT
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BU of 8ikt by Molmil
Ternary trans-complex of phospho-parkin with cis ACT and pUb
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-AMINOPROPANE, E3 ubiquitin-protein ligase parkin, ...
Authors:Lenka, D.R, Kumar, A.
Deposit date:2023-03-01
Release date:2024-09-11
Last modified:2024-09-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Additional feedforward mechanism of Parkin activation via binding of phospho-UBL and RING0 in trans.
Elife, 13, 2024

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数据于2024-10-30公开中

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