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8A6S
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BU of 8a6s by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 1 microsecond after Photoexcitation
Descriptor: Green fluorescent protein
Authors:Fadini, A, van Thor, J.
Deposit date:2022-06-19
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6G
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BU of 8a6g by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore in the non-fluorescent OFF-state
Descriptor: Green fluorescent protein
Authors:Fadini, A, van Thor, J.
Deposit date:2022-06-17
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6N
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BU of 8a6n by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 300 fs after Photoexcitation
Descriptor: Green fluorescent protein
Authors:Fadini, A, van Thor, J.
Deposit date:2022-06-18
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6P
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BU of 8a6p by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 900 fs after photoexcitation
Descriptor: Green fluorescent protein
Authors:Fadini, A, van Thor, J.
Deposit date:2022-06-18
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A6Q
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BU of 8a6q by Molmil
Room temperature rsEGFP2 with a chlorinated chromophore 5 ps after photoexcitation
Descriptor: Green fluorescent protein
Authors:Fadini, A, van Thor, J.
Deposit date:2022-06-18
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
8A7V
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BU of 8a7v by Molmil
Room temperature rsEGFP2 in its OFF-state obtained with SFX
Descriptor: Green fluorescent protein
Authors:Fadini, A, van Thor, J.
Deposit date:2022-06-21
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 145, 2023
6PYD
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BU of 6pyd by Molmil
Structure of 3E9 antibody Fab bound to marinobufagenin
Descriptor: (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, 3E9 anti-marinobufagenin antibody Fab heavy chain, recloned with human IgG4 C region, ...
Authors:Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J.
Deposit date:2019-07-29
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
6O44
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BU of 6o44 by Molmil
Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Nattokinase, ...
Authors:Tang, H, Shi, K, Aihara, H.
Deposit date:2019-02-28
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis.
Biochem. Biophys. Res. Commun., 512, 2019
6PYC
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BU of 6pyc by Molmil
Structure of kappa-on-heavy (KoH) antibody Fab bound to the cardiac hormone marinobufagenin
Descriptor: (3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide, KoH body Fab heavy chain, KoH body Fab light chain, ...
Authors:Franklin, M.C, Macdonald, L.E, McWhirter, J, Murphy, A.J.
Deposit date:2019-07-29
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Kappa-on-Heavy (KoH) bodies are a distinct class of fully-human antibody-like therapeutic agents with antigen-binding properties.
Proc.Natl.Acad.Sci.USA, 117, 2020
8AM4
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BU of 8am4 by Molmil
Cl-rsEGFP2 Long Wavelength Structure
Descriptor: Green fluorescent protein
Authors:Orr, C.M, Fadini, A, van Thor, J.
Deposit date:2022-08-02
Release date:2023-08-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism.
J.Am.Chem.Soc., 2023
5UIY
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BU of 5uiy by Molmil
Structure of Bromodomain from human BAZ1A
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bromodomain adjacent to zinc finger domain protein 1A
Authors:Oppikofer, M, Sudhamsu, J.
Deposit date:2017-01-16
Release date:2017-07-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.687 Å)
Cite:Non-canonical reader modules of BAZ1A promote recovery from DNA damage.
Nat Commun, 8, 2017
7KW1
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BU of 7kw1 by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3
Descriptor: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
Authors:Skene, R.
Deposit date:2020-11-29
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
7KVX
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BU of 7kvx by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN 1
Descriptor: (2R,5R,7R,8R,10R,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)amino]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
Authors:Skene, R.
Deposit date:2020-11-29
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
8KHD
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BU of 8khd by Molmil
The interface structure of Omicron RBD binding to 5817 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817, Light chain of 5817, ...
Authors:Cao, L, Wang, X.
Deposit date:2023-08-21
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
8KHC
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BU of 8khc by Molmil
SARS-CoV-2 Omicron spike in complex with 5817 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 5817 Fab, ...
Authors:Cao, L, Wang, X.
Deposit date:2023-08-21
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Identification of a broad sarbecovirus neutralizing antibody targeting a conserved epitope on the receptor-binding domain.
Cell Rep, 43, 2024
3NMW
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BU of 3nmw by Molmil
Crystal structure of armadillo repeats domain of APC
Descriptor: APC variant protein, SULFATE ION
Authors:Zhang, Z, Chen, L, Gao, L, Lin, K, Wu, G.
Deposit date:2010-06-22
Release date:2011-07-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the recognition of Asef by adenomatous polyposis coli.
Cell Res., 22, 2012
8SBG
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BU of 8sbg by Molmil
Crystal structure of B. theta tryptophanase in holo form
Descriptor: PYRIDOXAL-5'-PHOSPHATE, Tryptophanase
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-03
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
8SIJ
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BU of 8sij by Molmil
Crystal structure of F. varium tryptophanase
Descriptor: CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE, Tryptophanase 1, ...
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-16
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
8SL7
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BU of 8sl7 by Molmil
Butyricicoccus sp. BIOML-A1 tryptophanase complex with (3S) ALG-05
Descriptor: (E)-3-[(3S)-3-chloro-2-oxo-2,3-dihydro-1H-indol-3-yl]-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine, Tryptophanase
Authors:Graboski, A.L, Redinbo, M.R.
Deposit date:2023-04-21
Release date:2023-08-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Mechanism-based inhibition of gut microbial tryptophanases reduces serum indoxyl sulfate.
Cell Chem Biol, 30, 2023
3QHD
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BU of 3qhd by Molmil
Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to CYTIDINE, FOL795 and FOL955
Descriptor: 2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-(1H-IMIDAZOL-1-YL)PHENOL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-25
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
5VZ3
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BU of 5vz3 by Molmil
Growth Factor Crystal Structure at 1.97 Angstrom Resolution
Descriptor: Growth/differentiation factor 15
Authors:Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
5GI4
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BU of 5gi4 by Molmil
DEAD-box RNA helicase
Descriptor: ATP-dependent RNA helicase DeaD
Authors:Xu, L, Wang, L, Li, F, Wu, L, Shi, Y.
Deposit date:2016-06-22
Release date:2017-05-31
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
5VZ4
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BU of 5vz4 by Molmil
Receptor-growth factor crystal structure at 2.20 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, GDNF family receptor alpha-like, ...
Authors:Lakshminarasimhan, D, White, A, Suto, R.K.
Deposit date:2017-05-26
Release date:2017-09-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-homeostatic body weight regulation through a brainstem-restricted receptor for GDF15.
Nature, 550, 2017
7KVZ
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BU of 7kvz by Molmil
Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-2
Descriptor: (2R,5R,7R,8R,10S,12aR,14R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2,10,16-trihydroxy-14-[(pyrimidin-4-yl)oxy]decahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
Authors:Skene, R.J.
Deposit date:2020-11-29
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.
J.Med.Chem., 64, 2021
5ED6
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BU of 5ed6 by Molmil
crystal structure of human Hint1 H114A mutant complexing with ATP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Wang, J, Fang, P, Guo, M.
Deposit date:2015-10-20
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019

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