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1YRJ
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BU of 1yrj by Molmil
Crystal Structure of Apramycin bound to a Ribosomal RNA A site oligonucleotide
Descriptor: APRAMYCIN, Bacterial 16 S Ribosomal RNA A Site Oligonucleotide, MAGNESIUM ION, ...
Authors:Han, Q, Zhao, Q, Fish, S, Simonsen, K.B, Vourloumis, D, Froelich, J.M, Wall, D, Hermann, T.
Deposit date:2005-02-03
Release date:2005-06-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular recognition by glycoside pseudo base pairs and triples in an apramycin-RNA complex.
Angew.Chem.Int.Ed.Engl., 44, 2005
2XTH
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BU of 2xth by Molmil
K2PtBr6 binding to lysozyme
Descriptor: HEXABROMOPLATINATE(IV), LYSOZYME C
Authors:Helliwell, J.R, Bell, A.M.T, Bryant, P, Fisher, S, Habash, J, Helliwell, M, Margiolaki, I, Kaenket, S, Watier, Y, Wright, J, Yalamanchili, S.K.
Deposit date:2010-10-07
Release date:2010-12-08
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Time-Dependent Analysis of K2Ptbr6 Binding to Lysozyme Studied by Protein Powder and Single Crystal X-Ray Analysis
Z.Kristallogr., 225, 2010
6X8E
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BU of 6x8e by Molmil
Crystal structure of JAK2 with Compound 11
Descriptor: Tyrosine-protein kinase JAK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
Authors:Vajdos, F.F, Knafels, J.D.
Deposit date:2020-06-01
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
6X8G
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BU of 6x8g by Molmil
Crystal structure of TYK2 with Compound 22
Descriptor: Non-receptor tyrosine-protein kinase TYK2, trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile
Authors:Vajdos, F.F, Knafels, J.D.
Deposit date:2020-06-01
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
6X8F
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BU of 6x8f by Molmil
Crystal structure of TYK2 with Compound 11
Descriptor: Non-receptor tyrosine-protein kinase TYK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
Authors:Vajdos, F.F, Knafels, J.D.
Deposit date:2020-06-01
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
Descriptor: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
Descriptor: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
8FFZ
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BU of 8ffz by Molmil
TFIIIA-TFIIIC-Brf1-TBP complex bound to 5S rRNA gene
Descriptor: DNA (151-MER), Transcription factor IIIA, Transcription factor IIIB 70 kDa subunit,TATA-box-binding protein, ...
Authors:Talyzina, A, He, Y.
Deposit date:2022-12-11
Release date:2023-06-21
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis of TFIIIC-dependent RNA polymerase III transcription initiation.
Mol.Cell, 83, 2023
1HBV
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BU of 1hbv by Molmil
A CHECK ON RATIONAL DRUG DESIGN. CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A NOVEL GAMMA-TURN MIMETIC
Descriptor: 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-YL]-1-OXOPROPYL-VALINYL-VALINE-METHYLESTER, HIV-1 PROTEASE
Authors:Hoog, S, Abdel-Meguid, S.
Deposit date:1995-03-29
Release date:1995-07-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A check on rational drug design: crystal structure of a complex of human immunodeficiency virus type 1 protease with a novel gamma-turn mimetic inhibitor.
J.Med.Chem., 38, 1995
7LSY
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BU of 7lsy by Molmil
NHEJ Short-range synaptic complex
Descriptor: DNA (26-MER), DNA (5'-D(P*CP*AP*AP*TP*GP*AP*AP*AP*CP*GP*GP*AP*AP*CP*AP*GP*TP*CP*AP*G)-3'), DNA (5'-D(P*GP*TP*TP*CP*TP*TP*AP*GP*TP*AP*TP*AP*TP*A)-3'), ...
Authors:He, Y, Chen, S.
Deposit date:2021-02-18
Release date:2021-04-14
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:Structural basis of long-range to short-range synaptic transition in NHEJ.
Nature, 593, 2021
7LT3
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BU of 7lt3 by Molmil
NHEJ Long-range synaptic complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (30-MER), DNA (31-MER), ...
Authors:He, Y, Chen, S.
Deposit date:2021-02-18
Release date:2021-04-14
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural basis of long-range to short-range synaptic transition in NHEJ.
Nature, 593, 2021
7PRL
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BU of 7prl by Molmil
MUC2 D1 with Cu(II)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ...
Authors:Reznik, N, Fass, D.
Deposit date:2021-09-22
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Intestinal mucin is a chaperone of multivalent copper.
Cell, 185, 2022
1SBG
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BU of 1sbg by Molmil
AN ORALLY-BIOAVAILABLE HIV-1 PROTEASE INHIBITOR CONTAINING AN IMIDAZOLE-DERIVED PEPTIDE BOND REPLACEMENT. CRYSTALLOGRAPHIC AND PHARMACOKINETIC ANALYSIS
Descriptor: (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, HIV-1 PROTEASE
Authors:Abdel-Meguid, S, Zhao, B.
Deposit date:1994-05-24
Release date:1994-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An orally bioavailable HIV-1 protease inhibitor containing an imidazole-derived peptide bond replacement: crystallographic and pharmacokinetic analysis.
Biochemistry, 33, 1994
6VER
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BU of 6ver by Molmil
Human insulin analog: [GluB10,TyrB20]-DOI
Descriptor: Insulin A chain, Insulin B chain
Authors:Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X.
Deposit date:2020-01-02
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.047 Å)
Cite:Mini-Ins: A minimal, bioactive insulin analog with alternative binding modes
not published
6VES
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BU of 6ves by Molmil
Human insulin analog: [GluB10,HisA8,ArgA9]-DOI
Descriptor: Insulin A chain, Insulin B chain
Authors:Menting, J.G, Chou, D.H.-C, Lawrence, M.C, Xiong, X.
Deposit date:2020-01-02
Release date:2020-11-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mini-Ins: A Minimal, Bioactive Insulin Analog with Alternative Binding Modes
To Be Published
6CND
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BU of 6cnd by Molmil
Yeast RNA polymerase III natural open complex (nOC)
Descriptor: DNA (71-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
Authors:Han, Y, He, Y.
Deposit date:2018-03-08
Release date:2018-08-22
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural visualization of RNA polymerase III transcription machineries.
Cell Discov, 4, 2018
6CNB
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BU of 6cnb by Molmil
Yeast RNA polymerase III initial transcribing complex
Descriptor: DNA (71-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
Authors:Han, Y, He, Y.
Deposit date:2018-03-08
Release date:2018-08-22
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural visualization of RNA polymerase III transcription machineries.
Cell Discov, 4, 2018
6CNC
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BU of 6cnc by Molmil
Yeast RNA polymerase III open complex
Descriptor: DNA (71-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
Authors:Han, Y, He, Y.
Deposit date:2018-03-08
Release date:2018-08-22
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural visualization of RNA polymerase III transcription machineries.
Cell Discov, 4, 2018
6CNF
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BU of 6cnf by Molmil
Yeast RNA polymerase III elongation complex
Descriptor: DNA (79-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ...
Authors:Han, Y, He, Y.
Deposit date:2018-03-08
Release date:2018-08-22
Last modified:2020-01-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural visualization of RNA polymerase III transcription machineries.
Cell Discov, 4, 2018
4LNK
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BU of 4lnk by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of GS-glutamate-AMPPCP complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLUTAMIC ACID, Glutamine synthetase, ...
Authors:Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
Deposit date:2013-07-11
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
4LNF
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BU of 4lnf by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of GS-Q
Descriptor: GLUTAMINE, Glutamine synthetase, MAGNESIUM ION, ...
Authors:Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
Deposit date:2013-07-11
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.949 Å)
Cite:Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
4LNN
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BU of 4lnn by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of apo form of GS
Descriptor: Glutamine synthetase, MAGNESIUM ION, SULFATE ION
Authors:Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
Deposit date:2013-07-11
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
4LNI
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BU of 4lni by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: structure of the transition state complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ...
Authors:Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
Deposit date:2013-07-11
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5793 Å)
Cite:Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
4LNO
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BU of 4lno by Molmil
B. subtilis glutamine synthetase structures reveal large active site conformational changes and basis for isoenzyme specific regulation: form two of GS-1
Descriptor: GLUTAMINE, Glutamine synthetase, MAGNESIUM ION
Authors:Schumacher, M.A, Chinnam, N, Tonthat, N, Fisher, S, Wray, L.
Deposit date:2013-07-11
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the Bacillus subtilis Glutamine Synthetase Dodecamer Reveal Large Intersubunit Catalytic Conformational Changes Linked to a Unique Feedback Inhibition Mechanism.
J.Biol.Chem., 288, 2013
6SV2
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BU of 6sv2 by Molmil
Human prion protein (PrP) fragment 119-231 (G127V M129 variant) complexed to ICSM 18 (anti-Prp therapeutic antibody) Fab fragment
Descriptor: ICSM 18-ANTI-PRP THERAPEUTIC FAB HEAVY CHAIN, ICSM 18-ANTI-PRP THERAPEUTIC FAB LIGHT CHAIN, Major prion protein, ...
Authors:Conners, R.
Deposit date:2019-09-17
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural effects of the highly protective V127 polymorphism on human prion protein.
Commun Biol, 3, 2020

 

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