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3TJD
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BU of 3tjd by Molmil
co-crystal structure of Jak2 with thienopyridine 19
Descriptor: 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2
Authors:Huang, X.
Deposit date:2011-08-24
Release date:2011-11-30
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
6LKC
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BU of 6lkc by Molmil
Crystal structure of PfaD from Shewanella piezotolerans in complex with FMN
Descriptor: CALCIUM ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Zhang, M.L, Li, Q, Meng, S.S, Guo, L.J, He, L, Huang, J.Z, Li, L, Zhang, H.D.
Deposit date:2019-12-19
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural Insights into the Trans -Acting Enoyl Reductase in the Biosynthesis of Long-Chain Polyunsaturated Fatty Acids in Shewanella piezotolerans .
J.Agric.Food Chem., 69, 2021
5ISY
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BU of 5isy by Molmil
Crystal structure of Nudix family protein with NAD
Descriptor: NADH pyrophosphatase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Zhang, D, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-03-15
Release date:2016-09-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:Structural basis of prokaryotic NAD-RNA decapping by NudC
Cell Res., 26, 2016
7YPX
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BU of 7ypx by Molmil
Cyanophage Pam3 fiber
Descriptor: Pam3 tail fiber proreins, tail fiber chaperone
Authors:Wei, Z.L, Jiang, Y.L, Zhou, C.Z.
Deposit date:2022-08-04
Release date:2022-11-09
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Structural Insights into the Chaperone-Assisted Assembly of a Simplified Tail Fiber of the Myocyanophage Pam3.
Viruses, 14, 2022
4ZZH
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BU of 4zzh by Molmil
SIRT1/Activator Complex
Descriptor: (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION
Authors:Dai, H.
Deposit date:2015-05-22
Release date:2015-07-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1001 Å)
Cite:Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
4KMH
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BU of 4kmh by Molmil
Crystal structure of Suppressor of Fused d20
Descriptor: Suppressor of fused homolog
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
6BBV
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BU of 6bbv by Molmil
Crystal Structure of JAK2 in complex with compound 25
Descriptor: N-{cis-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide, Tyrosine-protein kinase JAK2
Authors:Han, S.
Deposit date:2017-10-19
Release date:2018-01-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of N-{cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl}propane-1-sulfonamide (PF-04965842): A Selective JAK1 Clinical Candidate for the Treatment of Autoimmune Diseases.
J. Med. Chem., 61, 2018
6C4Y
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BU of 6c4y by Molmil
Cross-alpha Amyloid-like Structure alphaAmG
Descriptor: Cross-alpha Amyloid-like Structure alphaAmG
Authors:Liu, L, Zhang, S.Q.
Deposit date:2018-01-13
Release date:2018-08-15
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Designed peptides that assemble into cross-alpha amyloid-like structures.
Nat. Chem. Biol., 14, 2018
4KM9
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BU of 4km9 by Molmil
Crystal structure of human Suppressor of Fused
Descriptor: Suppressor of fused homolog
Authors:Zhang, Y, Qi, X, Zhang, Z, Wu, G.
Deposit date:2013-05-08
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural insight into the mutual recognition and regulation between Suppressor of Fused and Gli/Ci.
Nat Commun, 4, 2013
4M6B
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BU of 4m6b by Molmil
Crystal structure of yeast Swr1-Z domain in complex with H2A.Z-H2B dimer
Descriptor: Chimera protein of Histone H2B.1 and Histone H2A.Z, Helicase SWR1
Authors:Hong, J.J, Feng, H.Q, Wang, F, Ranjan, A, Chen, J.H, Jiang, J.S, Girlando, R, Xiao, T.S, Wu, C, Bai, Y.W.
Deposit date:2013-08-09
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:The Catalytic Subunit of the SWR1 Remodeler Is a Histone Chaperone for the H2A.Z-H2B Dimer.
Mol.Cell, 53, 2014
2Z8N
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BU of 2z8n by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
Descriptor: 27.5 kDa virulence protein, SULFATE ION
Authors:Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
Deposit date:2007-09-07
Release date:2007-12-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
2Z8M
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BU of 2z8m by Molmil
Structural basis for the catalytic mechanism of phosphothreonine lyase
Descriptor: 27.5 kDa virulence protein
Authors:Chen, L, Wang, H, Gu, L, Huang, N, Zhou, J.M, Chai, J.
Deposit date:2007-09-07
Release date:2007-12-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the catalytic mechanism of phosphothreonine lyase.
Nat.Struct.Mol.Biol., 15, 2008
8HFQ
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BU of 8hfq by Molmil
Cryo-EM structure of CpcL-PBS from cyanobacterium Synechocystis sp. PCC 6803
Descriptor: C-phycocyanin alpha subunit, C-phycocyanin beta subunit, Ferredoxin--NADP reductase, ...
Authors:Zheng, L, Zhang, Z, Wang, H, Zheng, Z, Gao, N, Zhao, J.
Deposit date:2022-11-11
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Cryo-EM and femtosecond spectroscopic studies provide mechanistic insight into the energy transfer in CpcL-phycobilisomes.
Nat Commun, 14, 2023
4XAQ
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BU of 4xaq by Molmil
mGluR2 ECD and mGluR3 ECD with ligands
Descriptor: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, Metabotropic glutamate receptor 2, ...
Authors:Clawson, D.K.
Deposit date:2014-12-15
Release date:2015-02-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
8C0T
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BU of 8c0t by Molmil
NRS 1.2: Fluorescent Sensors for Imaging Interstitial Calcium
Descriptor: CALCIUM ION, SULFATE ION, mNeonGreen,Optimized Ratiometric Calcium Sensor
Authors:Basquin, J, Griesbeck, O, Valiente-Gabioud, A.
Deposit date:2022-12-19
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Fluorescent sensors for imaging of interstitial calcium.
Nat Commun, 14, 2023
4XAR
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BU of 4xar by Molmil
mGluR2 ECD and mGluR3 ECD complex with ligands
Descriptor: (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, IODIDE ION, Metabotropic glutamate receptor 3
Authors:Clawson, D.K.
Deposit date:2014-12-15
Release date:2015-02-11
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Synthesis and Pharmacological Characterization of C4-Disubstituted Analogs of 1S,2S,5R,6S-2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylate: Identification of a Potent, Selective Metabotropic Glutamate Receptor Agonist and Determination of Agonist-Bound Human mGlu2 and mGlu3 Amino Terminal Domain Structures.
J.Med.Chem., 58, 2015
6ISO
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BU of 6iso by Molmil
Human SIRT3 Recognizing H3K4cr
Descriptor: (2E)-BUT-2-ENAL, ARG-THR-LYS-GLN-THR-ALA-ARG, GLYCEROL, ...
Authors:Wang, Y, Hao, Q.
Deposit date:2018-11-17
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Identification of 'erasers' for lysine crotonylated histone marks using a chemical proteomics approach.
Elife, 3, 2014
6YFZ
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BU of 6yfz by Molmil
Crystal structure of MKK7 (MAP2K7), apo form
Descriptor: Dual specificity mitogen-activated protein kinase kinase 7
Authors:Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-03-27
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020
7VRD
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BU of 7vrd by Molmil
Crystal structure of Enolase1 from Candida albicans complexed with 2'-phosphoglyceric acid sodium
Descriptor: 2-PHOSPHOGLYCERIC ACID, Enolase 1, MAGNESIUM ION
Authors:Zhang, M, Zhang, X.
Deposit date:2021-10-22
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Baicalein Acts against Candida albicans by Targeting Eno1 and Inhibiting Glycolysis.
Microbiol Spectr, 10, 2022
5GPK
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BU of 5gpk by Molmil
Crystal structure of Ccp1 mutant
Descriptor: Putative nucleosome assembly protein C36B7.08c
Authors:Yin, F, Gao, F, Chen, Y.
Deposit date:2016-08-03
Release date:2016-11-30
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:Ccp1 Homodimer Mediates Chromatin Integrity by Antagonizing CENP-A Loading
Mol.Cell, 64, 2016
7V67
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BU of 7v67 by Molmil
Crystal Structure of Enolase1 from Candida albicans
Descriptor: Enolase 1, SULFATE ION
Authors:Zhang, M, Zhang, X.
Deposit date:2021-08-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Baicalein Acts against Candida albicans by Targeting Eno1 and Inhibiting Glycolysis.
Microbiol Spectr, 10, 2022
6FTR
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BU of 6ftr by Molmil
Serial Femtosecond Crystallography at Megahertz pulse rates
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N.
Deposit date:2018-02-23
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.76000106 Å)
Cite:Megahertz serial crystallography.
Nat Commun, 9, 2018
7KPT
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BU of 7kpt by Molmil
Crystal structure of CtdE in complex with FAD and substrate 4
Descriptor: (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Zhao, B, Hu, L.
Deposit date:2020-11-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
7KPQ
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BU of 7kpq by Molmil
Crystal structure of CtdE in complex with FAD
Descriptor: FAD-dependent monooxygenase CtdE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Zhao, B, Hu, L.
Deposit date:2020-11-12
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
Nat Commun, 12, 2021
6YG4
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BU of 6yg4 by Molmil
Crystal structure of MKK7 (MAP2K7) in complex with K00007
Descriptor: (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, 1,2-ETHANEDIOL, Dual specificity mitogen-activated protein kinase kinase 7
Authors:Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-03-27
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Catalytic Domain Plasticity of MKK7 Reveals Structural Mechanisms of Allosteric Activation and Diverse Targeting Opportunities.
Cell Chem Biol, 27, 2020

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PDB entries from 2024-08-07

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