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8SK1
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BU of 8sk1 by Molmil
Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine
Authors:Shaw, G.X, Tropea, J.E, Shi, G, Waugh, D.S, Ji, X.
Deposit date:2023-04-18
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73
To be published
8SL6
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BU of 8sl6 by Molmil
Cryo-EM structure of the rat TRPM5 channel in EGTA
Descriptor: Transient receptor potential cation channel subfamily M member 5
Authors:Karuppan, S, Schrag, L.G, Jara-Oseguera, A, Zubcevic, L.
Deposit date:2023-04-21
Release date:2024-07-03
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural dynamics at cytosolic interprotomer interfaces control gating of a mammalian TRPM5 channel.
Proc.Natl.Acad.Sci.USA, 121, 2024
8STC
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BU of 8stc by Molmil
S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate.
Descriptor: MAGNESIUM ION, Pyridinium-3,5-biscarboxylic acid mononucleotide synthase, ZINC ION
Authors:Chatterjee, S, Rankin, J.A, Hu, J, Hausinger, R.P.
Deposit date:2023-05-09
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:S127A variant of LarB, a carboxylase/hydrolase involved in synthesis of the cofactor for lactate racemase, in complex with Zinc and soaked with bicarbonate.
To be published
8T0D
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BU of 8t0d by Molmil
Crystal structure of integrin beta-2 tail bound to the FERM-folded talin head domain with E269A/Y270A/K306Q triple mutation
Descriptor: Integrin beta-2,Talin-1
Authors:Wu, J, Gao, T.
Deposit date:2023-05-31
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structure of Talin Bound to beta 2 Integrin Unveils the Molecular Mechanism of Species-Specific Integrin Activation
Biorxiv, 2024
8SD5
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BU of 8sd5 by Molmil
Crystal structure of HPPK from Methanocaldococcus jannaschii
Descriptor: 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, SULFATE ION
Authors:Shaw, G.X, Needle, D, Stair, N.R, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X.
Deposit date:2023-04-06
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Crystal structure of HPPK from Methanocaldococcus jannaschii
To be published
8SYG
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BU of 8syg by Molmil
Cryo-EM structure of tetradecameric hub domain of CaMKII alpha
Descriptor: Venus-tagged CaMKII Alpha Association Domain
Authors:Chien, C.-T, Chiu, W, Khan, S.
Deposit date:2023-05-25
Release date:2024-06-19
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Hub stability in the calcium calmodulin-dependent protein kinase II.
Commun Biol, 7, 2024
8SIF
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BU of 8sif by Molmil
Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-101
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine
Authors:Shaw, G.X, Shi, G, Ji, X.
Deposit date:2023-04-16
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The first bisubstrate inhibitor of HPPK exhibiting cell permeability
To be published
8SLQ
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BU of 8slq by Molmil
Cryo-EM structure of the rat TRPM5 channel in 2mM calcium, high-3
Descriptor: Transient receptor potential cation channel subfamily M member 5
Authors:Karuppan, S, Schrag, L.G, Jara-Oseguera, A, Zubcevic, L.
Deposit date:2023-04-24
Release date:2024-07-03
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural dynamics at cytosolic interprotomer interfaces control gating of a mammalian TRPM5 channel.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SLI
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BU of 8sli by Molmil
Cryo-EM structure of the rat TRPM5 channel in 2mM calcium, high-1
Descriptor: CALCIUM ION, Transient receptor potential cation channel subfamily M member 5
Authors:Karuppan, S, Schrag, L.G, Jara-Oseguera, A, Zubcevic, L.
Deposit date:2023-04-21
Release date:2024-07-03
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structural dynamics at cytosolic interprotomer interfaces control gating of a mammalian TRPM5 channel.
Proc.Natl.Acad.Sci.USA, 121, 2024
8SO8
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BU of 8so8 by Molmil
Crystal structure of an N-terminally truncated variant of Escherichia coli RapA
Descriptor: CHLORIDE ION, RNA polymerase-associated protein RapA, SULFATE ION
Authors:Shaw, G.X, Kakar, S, Ji, X.
Deposit date:2023-04-28
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.607 Å)
Cite:Crystal structure of an N-terminally truncated variant of Escherichia coli RapA
To be published
8S8C
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BU of 8s8c by Molmil
Structure of Kras in complex with inhibitor MK-1084
Descriptor: (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Day, P.J, Cleasby, A.
Deposit date:2024-03-06
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor.
J.Med.Chem., 67, 2024
8SPG
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BU of 8spg by Molmil
Crystal structure of N-terminally truncated Escherichia coli RapA in complex with MgADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Shaw, G.X, Ji, X.
Deposit date:2023-05-03
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of N-terminally truncated Escherichia coli RapA in complex with MgADP
To be published
8T0V
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BU of 8t0v by Molmil
Closed state of lysine 5,6-aminomutase from Thermoanaerobacter tengcongensis
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, D-lysine 5,6-aminomutase alpha subunit, ...
Authors:Tian, S, Voss, P, Pham, K, Klose, T.
Deposit date:2023-06-01
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Catalysis in Motion: Large-Scale Domain Shift Enables Co-C Bond Homolysis in Lysine 5,6-Aminomutase
To Be Published
8S6H
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BU of 8s6h by Molmil
Cryo-EM Structure of the R388 plasmid conjugative pilus reveals a helical polymer characterised by an unusual pilin/phospholipid binary complex
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, TrwL protein
Authors:Vadakkepat, A.K, Waksman, G, Redzej, A.
Deposit date:2024-02-27
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Cryo-EM structure of the R388 plasmid conjugative pilus reveals a helical polymer characterized by an unusual pilin/phospholipid binary complex.
Structure, 2024
8RZJ
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BU of 8rzj by Molmil
ZgGH129 from Zobellia galactanivorans in complex with the inhibitor ADG-IF (3,6-anhydro-D-galacto-isofagomine).
Descriptor: (1~{R},5~{R},8~{S})-6-oxa-3-azabicyclo[3.2.1]octan-8-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Roret, T, Czjzek, M, Ficko-Blean, E.
Deposit date:2024-02-12
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 2024
8S5R
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BU of 8s5r by Molmil
Structure of the Chlamydia pneumoniae effector SemD
Descriptor: Effector SemD
Authors:Kocher, F, Applegate, V, Reiners, J, Port, A, Spona, D, Haensch, S, Smits, S.H, Hegemann, J, Moelleken, K.
Deposit date:2024-02-25
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the Chlamydia pneumoniae effector SemD
To Be Published
8S5T
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BU of 8s5t by Molmil
Structure of SemD in complex
Descriptor: Effector SemD, Neural Wiskott-Aldrich syndrome protein
Authors:Kocher, F, Applegate, V, Port, A, Reiners, J, Spona, D, Haensch, S, Smits, S.H, Hegemann, J, Moelleken, K.
Deposit date:2024-02-25
Release date:2024-08-07
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of SemD in complex
To Be Published
8T46
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BU of 8t46 by Molmil
Transporter associated with antigen processing (TAP) in the apo state
Descriptor: Antigen peptide transporter 1, Antigen peptide transporter 2
Authors:Lee, J, Oldham, M.L, Chen, J.
Deposit date:2023-06-08
Release date:2024-06-12
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Principles of peptide selection by the transporter associated with antigen processing.
Proc.Natl.Acad.Sci.USA, 121, 2024
8T5W
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BU of 8t5w by Molmil
Influenza PAN endonuclease I38T mutant with Baloxavir
Descriptor: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
Authors:Kohlbrand, A.J, Cohen, S.M.
Deposit date:2023-06-14
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Studies of Inhibitors with Clinically Relevant Influenza Endonuclease Variants.
Biochemistry, 63, 2024
8TCD
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BU of 8tcd by Molmil
Structure of Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1
Descriptor: ACETATE ION, COBALT (II) ION, GLYCEROL, ...
Authors:Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2023-06-30
Release date:2024-06-12
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
8TCT
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BU of 8tct by Molmil
Structure of 3K-GlcH bound Bacteroides thetaiotaomicron 3-Keto-beta-glucopyranoside-1,2-Lyase BT1
Descriptor: 1,5-anhydro-D-ribo-hex-3-ulose, COBALT (II) ION, PHOSPHATE ION, ...
Authors:Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2023-07-02
Release date:2024-06-12
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
8TDA
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BU of 8tda by Molmil
Structure of Bacteroides thetaiotaomicron 3-Keto-2-hydroxy-glucal-hydratase BT2
Descriptor: POTASSIUM ION, Probable secreted glycosyl hydrolase
Authors:Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2023-07-02
Release date:2024-06-12
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
8TDF
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BU of 8tdf by Molmil
Structure of Alistipes sp. Glucoside-3-dehydrogenase AL3
Descriptor: Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J.
Deposit date:2023-07-02
Release date:2024-06-12
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
8THA
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BU of 8tha by Molmil
1TEL, non-compressed, double-helical crystal form
Descriptor: Transcription factor ETV6,Activated CDC42 kinase 1
Authors:Smith, C.P, Wilson, E.W, Pedroza Romo, M.J, Averett, J.C, Moody, J.D.
Deposit date:2023-07-14
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:1TEL, non-compressed, double-helical crystal form
To Be Published
8U2B
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BU of 8u2b by Molmil
Cryo-EM structure of C.crescentus bNY30a pilus complex
Descriptor: Flp family type IVb pilin
Authors:Wang, Y, Zhang, J.
Deposit date:2023-09-05
Release date:2024-05-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural mechanisms of Tad pilus assembly and its interaction with an RNA virus.
Sci Adv, 10, 2024

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PDB entries from 2024-08-14

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