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5D7Y
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BU of 5d7y by Molmil
Crystal structure of Hepatitis B virus T=4 capsid in complex with the allosteric modulator HAP18
Descriptor: Capsid protein, methyl (4R)-4-(2-chloro-4-fluorophenyl)-6-{[4-(3-hydroxypenta-1,4-diyn-3-yl)piperidin-1-yl]methyl}-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxylate
Authors:Venkatakrishnan, B, Katen, S.P, Zlotnick, A.
Deposit date:2015-08-14
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.894 Å)
Cite:Hepatitis B Virus Capsids Have Diverse Structural Responses to Small-Molecule Ligands Bound to the Heteroaryldihydropyrimidine Pocket.
J.Virol., 90, 2016
3NOU
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BU of 3nou by Molmil
Light-induced intermediate structure L3 of P. aeruginosa bacteriophytochrome
Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome
Authors:Yang, X, Ren, Z, Moffat, K.
Deposit date:2010-06-25
Release date:2012-11-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Temperature-scan cryocrystallography reveals reaction intermediates in bacteriophytochrome.
Nature, 479, 2011
3NOP
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BU of 3nop by Molmil
Light-induced intermediate structure L1 of Pseudomonas aeruginosa bacteriophytochrome
Descriptor: BILIVERDINE IX ALPHA, Bacteriophytochrome
Authors:Yang, X, Ren, Z, Moffat, K.
Deposit date:2010-06-25
Release date:2012-11-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Temperature-scan cryocrystallography reveals reaction intermediates in bacteriophytochrome.
Nature, 479, 2011
5E4F
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BU of 5e4f by Molmil
The spring alpha-helix coordinates multiple modes of HCV NS3 helicase action
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine protease NS3, ...
Authors:Gu, M, Rice, C.M.
Deposit date:2015-10-05
Release date:2016-05-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Spring alpha-Helix Coordinates Multiple Modes of HCV (Hepatitis C Virus) NS3 Helicase Action.
J.Biol.Chem., 291, 2016
6SL0
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BU of 6sl0 by Molmil
Complete CtTel1 dimer with C2 symmetry
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase Tel1
Authors:Jansma, M, Eustermann, S.E, Kostrewa, D, Lammens, K, Hopfner, K.P.
Deposit date:2019-08-16
Release date:2019-10-30
Last modified:2020-01-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Near-Complete Structure and Model of Tel1ATM from Chaetomium thermophilum Reveals a Robust Autoinhibited ATP State.
Structure, 28, 2020
6TMX
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BU of 6tmx by Molmil
Structure of the chaperonin gp146 from the bacteriophage EL (Pseudomonas aeruginosa) in complex with ATPgammaS
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, POTASSIUM ION, ...
Authors:Bracher, A, Wang, H, Paul, S.S, Wischnewski, N, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2019-12-05
Release date:2020-04-22
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Structure and conformational cycle of a bacteriophage-encoded chaperonin.
Plos One, 15, 2020
5HH6
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BU of 5hh6 by Molmil
Crystal structure of B3 metallo-beta-lactamase L1 in complex with a phosphonate-based inhibitor
Descriptor: 6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2016-01-09
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
6VSH
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BU of 6vsh by Molmil
Crystal structure of apo Dicamba Monooxygenase
Descriptor: Dicamba O-demethylase, oxygenase component, FE2/S2 (INORGANIC) CLUSTER
Authors:Rydel, T.J.
Deposit date:2020-02-11
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Dicamba monooxygenase: structural insights into a dynamic Rieske oxygenase that catalyzes an exocyclic monooxygenation.
J. Mol. Biol., 392, 2009
5HH5
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BU of 5hh5 by Molmil
Crystal structure of B3 metallo-beta-lactamase L1 complexed with a phosphonate-based inhibitor
Descriptor: 6-(phosphonomethyl)pyridine-2-carboxylic acid, GLYCEROL, Metallo-beta-lactamase L1, ...
Authors:Hinchliffe, P, Spencer, J.
Deposit date:2016-01-09
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
3PM1
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BU of 3pm1 by Molmil
Structure of QacR E90Q bound to Ethidium
Descriptor: ETHIDIUM, HTH-type transcriptional regulator qacR, SULFATE ION
Authors:Schumacher, M.A.
Deposit date:2010-11-15
Release date:2011-07-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A single acidic residue can guide binding site selection but does not govern QacR cationic-drug affinity.
Plos One, 6, 2011
4E5O
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BU of 4e5o by Molmil
Crystal structure of mouse thymidylate synthase in complex with dUMP
Descriptor: 1,4-BUTANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Dowiercial, A, Jarmula, A, Rypniewski, W, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W.
Deposit date:2012-03-14
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
4GM0
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BU of 4gm0 by Molmil
Crystal Structure of Benzoylformate Decarboxylase Mutant L403N
Descriptor: 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ...
Authors:Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J.
Deposit date:2012-08-15
Release date:2013-05-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
8JBA
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BU of 8jba by Molmil
Discovery and Crystallography Study of Novel Oxadiazole Analogs as Small Molecule PD-1/PD-L1 inhibitors
Descriptor: (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Xiao, Y.B.
Deposit date:2023-05-08
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery and Crystallography Study of Novel Biphenyl Ether and Oxadiazole Thioether (Non-Arylmethylamine)-Based Small-Molecule PD-1/PD-L1 Inhibitors as Immunotherapeutic Agents.
J.Med.Chem., 66, 2023
8JF5
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BU of 8jf5 by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAS1440
Descriptor: 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fukushima, H, Machida, T, Yamashita, S, Suzuki, T.
Deposit date:2023-05-17
Release date:2024-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:TAS1440, a histone H3 competitive LSD1 inhibitor, activates both TGF-beta and notch signaling pathways via INSM1 dissociation in neuroendocrine small cell lung cancer
To Be Published
8USW
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BU of 8usw by Molmil
CNQX-bound GluN1a-3A NMDA receptor
Descriptor: 7-nitro-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile, Glutamate receptor ionotropic, NMDA 1, ...
Authors:Michalski, K, Furukawa, H.
Deposit date:2023-10-30
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.23 Å)
Cite:Structure and function of GluN1-3A NMDA receptor excitatory glycine receptor channel.
Sci Adv, 10, 2024
8USX
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BU of 8usx by Molmil
Glycine-bound GluN1a-3A NMDA receptor
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 3A
Authors:Michalski, K, Furukawa, H.
Deposit date:2023-10-30
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure and function of GluN1-3A NMDA receptor excitatory glycine receptor channel.
Sci Adv, 10, 2024
8UUE
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BU of 8uue by Molmil
Glycine-bound GluN1a-3A LBD heterotetramer (local refinement)
Descriptor: Glutamate receptor ionotropic, NMDA 1, NMDA 3A
Authors:Michalski, K, Furukawa, H.
Deposit date:2023-11-01
Release date:2024-04-17
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Structure and function of GluN1-3A NMDA receptor excitatory glycine receptor channel.
Sci Adv, 10, 2024
8EJ4
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BU of 8ej4 by Molmil
Cryo-EM structure of the active NLRP3 inflammasome disk
Descriptor: MAGNESIUM ION, NACHT, LRR and PYD domains-containing protein 3, ...
Authors:Hao, W, Le, X.
Deposit date:2022-09-16
Release date:2022-12-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of the active NLRP3 inflammasome disc.
Nature, 613, 2023
6AHF
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BU of 6ahf by Molmil
CryoEM Reconstruction of Hsp104 N728A Hexamer
Descriptor: Heat shock protein 104, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Authors:Zhang, X, Zhang, L, Zhang, S.
Deposit date:2018-08-17
Release date:2019-02-13
Last modified:2019-04-10
Method:ELECTRON MICROSCOPY (6.78 Å)
Cite:Heat shock protein 104 (HSP104) chaperones soluble Tau via a mechanism distinct from its disaggregase activity.
J. Biol. Chem., 294, 2019
7SH2
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BU of 7sh2 by Molmil
Structure of the yeast Rad24-RFC loader bound to DNA and the open 9-1-1 clamp
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, Crick strand, ...
Authors:Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
Deposit date:2021-10-07
Release date:2022-03-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:DNA is loaded through the 9-1-1 DNA checkpoint clamp in the opposite direction of the PCNA clamp.
Nat.Struct.Mol.Biol., 29, 2022
7SGZ
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BU of 7sgz by Molmil
Structure of the yeast Rad24-RFC loader bound to DNA and the closed 9-1-1 clamp
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, Crick strand, ...
Authors:Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
Deposit date:2021-10-07
Release date:2022-03-23
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:DNA is loaded through the 9-1-1 DNA checkpoint clamp in the opposite direction of the PCNA clamp.
Nat.Struct.Mol.Biol., 29, 2022
6BVF
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BU of 6bvf by Molmil
Cryo-EM Structure of Hepatitis B virus T=4 capsid in complex with the fluorescent allosteric modulator HAP-TAMRA
Descriptor: Capsid protein, Heteroaryldihydropyrimidine tetramethylrodamine
Authors:Schlicksup, C, Wang, J.C, Zlotnick, A.
Deposit date:2017-12-12
Release date:2018-02-07
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Hepatitis B virus core protein allosteric modulators can distort and disrupt intact capsids.
Elife, 7, 2018
2VKV
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BU of 2vkv by Molmil
TetR (BD) variant L17G with reverse phenotype
Descriptor: 5A,6-ANHYDROTETRACYCLINE, MAGNESIUM ION, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, ...
Authors:Resch, M, Striegl, H, Henssler, E.M, Sevvana, M, Egerer-Sieber, C, Schiltz, E, Hillen, W, Muller, Y.A.
Deposit date:2008-01-02
Release date:2008-07-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A Protein Functional Leap: How a Single Mutation Reverses the Function of the Transcription Regulator Tetr.
Nucleic Acids Res., 36, 2008
6BVN
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BU of 6bvn by Molmil
Cryo-EM Structure of Hepatitis B virus T=3 capsid in complex with the fluorescent allosteric modulator HAP-TAMRA
Descriptor: Capsid protein, Heteroaryldihydropyrimidine tetramethylrodamine
Authors:Schlicksup, C, Wang, J.C, Zlotnick, A.
Deposit date:2017-12-13
Release date:2018-02-07
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Hepatitis B virus core protein allosteric modulators can distort and disrupt intact capsids.
Elife, 7, 2018
3QGJ
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BU of 3qgj by Molmil
1.3A Structure of alpha-Lytic Protease Bound to Ac-AlaAlaPro-Alanal
Descriptor: 1,2-ETHANEDIOL, Ac-AlaAlaPro-Alanal peptide, Alpha-lytic protease, ...
Authors:Everill, P, Meinke, G, Bohm, A, Bachovchin, W.
Deposit date:2011-01-24
Release date:2012-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Substrate Binding Defines Ser195 Position in the Catalytic Triad of Serine Proteases, Not His57 protonation
To be Published

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