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4KU1
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BU of 4ku1 by Molmil
Role of the hinge and C-gamma-2/C-gamma-3 interface in immunoglobin G1 Fc domain motions: implications for Fc engineering
Descriptor: Ig gamma-1 chain C region, TETRAETHYLENE GLYCOL, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Frank, M, Walker, R, Lanzilotta, W.N, Prestegard, J.H, Barb, A.W.
Deposit date:2013-05-21
Release date:2014-02-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Immunoglobulin g1 fc domain motions: implications for fc engineering.
J.Mol.Biol., 426, 2014
4L9Q
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BU of 4l9q by Molmil
X-ray study of human serum albumin complexed with teniposide
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside, SERUM ALBUMIN
Authors:Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C.
Deposit date:2013-06-18
Release date:2013-07-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural studies of several clinically important oncology drugs in complex with human serum albumin.
Biochim.Biophys.Acta, 1830, 2013
5US5
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BU of 5us5 by Molmil
Solution structure of the IreB homodimer
Descriptor: UPF0297 protein EF_1202
Authors:Lytle, B.L, Peterson, F.C, Volkman, B.F, Kristich, C.J, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2017-02-13
Release date:2017-06-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and Dimerization of IreB, a Negative Regulator of Cephalosporin Resistance in Enterococcus faecalis.
J. Mol. Biol., 429, 2017
4LA0
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BU of 4la0 by Molmil
X-ray study of human serum albumin complexed with bicalutamide
Descriptor: R-BICALUTAMIDE, SERUM ALBUMIN
Authors:Wang, Z, Ho, J.X, Ruble, J, Rose, J.P, Carter, D.C.
Deposit date:2013-06-18
Release date:2013-07-24
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural studies of several clinically important oncology drugs in complex with human serum albumin.
Biochim.Biophys.Acta, 1830, 2013
2XKX
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BU of 2xkx by Molmil
Single particle analysis of PSD-95 in negative stain
Descriptor: DISKS LARGE HOMOLOG 4
Authors:Fomina, S, Howard, T.D, Sleator, O.K, Golovanova, M, O'Ryan, L, Leyland, M.L, Grossmann, J.G, Collins, R.F, Prince, S.M.
Deposit date:2010-07-15
Release date:2011-07-20
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (22.9 Å), SOLUTION SCATTERING
Cite:Self-Directed Assembly and Clustering of the Cytoplasmic Domains of Inwardly Rectifying Kir2.1 Potassium Channels on Association with Psd-95
Biochim.Biophys.Acta, 1808, 2011
4LFI
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BU of 4lfi by Molmil
Crystal structure of scCK2 alpha in complex with GMPPNP
Descriptor: Casein kinase II subunit alpha, GLYCEROL, MANGANESE (II) ION, ...
Authors:Liu, H.
Deposit date:2013-06-27
Release date:2014-03-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4LEN
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BU of 4len by Molmil
CTX-M-9 in complex with the broad spectrum inhibitor 3-(2- carboxyvinyl)benzo(b)thiophene-2-boronic acid
Descriptor: (2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid, Beta-lactamase
Authors:Tondi, D.
Deposit date:2013-06-26
Release date:2014-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Targeting Class A and C Serine beta-Lactamases with a Broad-Spectrum Boronic Acid Derivative.
J.Med.Chem., 57, 2014
3QBC
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BU of 3qbc by Molmil
Structure and design of a new pterin site inhibitor of S. aureus HPPK
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one
Authors:Peat, T.S, Chhabra, S, Swarbrick, J.D.
Deposit date:2011-01-12
Release date:2012-01-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of S. aureus HPPK and the discovery of a new substrate site inhibitor
Plos One, 7, 2012
3S5J
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BU of 3s5j by Molmil
2.0A Crystal structure of human phosphoribosyl pyrophosphate synthetase 1
Descriptor: Ribose-phosphate pyrophosphokinase 1, SULFATE ION
Authors:Chen, P, Teng, M, Li, X.
Deposit date:2011-05-23
Release date:2012-05-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal and EM Structures of Human Phosphoribosyl Pyrophosphate Synthase I (PRS1) Provide Novel Insights into the Disease-Associated Mutations
Plos One, 10, 2015
8TMT
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BU of 8tmt by Molmil
Crystal structure of KPC-44 carbapenemase in complex with vaborbactam
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, LITHIUM ION, ...
Authors:Sun, Z, Palzkill, T, Hu, L, Neetu, N, Lin, H, Sankaran, B, Wang, J, Prasad, B.
Deposit date:2023-07-30
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
8TN0
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BU of 8tn0 by Molmil
Crystal structure of KPC-44 carbapenemase w/o cryoprotectant
Descriptor: SULFATE ION, beta-lactamase
Authors:Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B.
Deposit date:2023-07-31
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
8TJM
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BU of 8tjm by Molmil
Crystal structure of KPC-44 carbapenemase
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, beta-lactamase
Authors:Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B.
Deposit date:2023-07-23
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
8TMR
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BU of 8tmr by Molmil
Crystal structure of KPC-44 carbapenemase complexed with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, PHOSPHATE ION, ...
Authors:Sun, Z, Palzkill, T, Hu, L, Lin, H, Sankaran, B, Wang, J, Prasad, B.
Deposit date:2023-07-30
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Klebsiella pneumoniae carbapenemase variant 44 acquires ceftazidime-avibactam resistance by altering the conformation of active-site loops.
J.Biol.Chem., 300, 2023
8TEO
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BU of 8teo by Molmil
Shaker in low K+ (4mM K+)
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, POTASSIUM ION, Potassium voltage-gated channel protein Shaker
Authors:Tan, X, Swartz, K.J.
Deposit date:2023-07-06
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Eukaryotic Kv channel Shaker inactivates through selectivity filter dilation rather than collapse.
Sci Adv, 9, 2023
8TWD
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BU of 8twd by Molmil
Structure of IraM-bound RssB
Descriptor: ACETATE ION, Anti-adapter protein IraM, Regulator of RpoS
Authors:Brugger, C, Deaconescu, A.M.
Deposit date:2023-08-20
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:IraM remodels the RssB segmented helical linker to stabilize sigma s against degradation by ClpXP.
J.Biol.Chem., 300, 2023
8TXY
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BU of 8txy by Molmil
X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera
Descriptor: DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ...
Authors:Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M.
Deposit date:2023-08-24
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
8U1G
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BU of 8u1g by Molmil
Prefusion-stabilized SARS-CoV-2 S2 subunit
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S2
Authors:Hsieh, C.-L, McLellan, J.S.
Deposit date:2023-08-31
Release date:2024-01-24
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Prefusion-stabilized SARS-CoV-2 S2-only antigen provides protection against SARS-CoV-2 challenge.
Nat Commun, 15, 2024
8DRJ
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BU of 8drj by Molmil
Apo B2 dimer (H60/H100/H104) formed in the presence of Cu(II)
Descriptor: HEME C, SULFATE ION, Soluble cytochrome b562
Authors:Choi, T.S, Tezcan, F.A.
Deposit date:2022-07-21
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior.
J.Am.Chem.Soc., 144, 2022
8DRM
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BU of 8drm by Molmil
Zn(II)-bound B2 dimer (H60/H100/H104) formed in Zn(II)//Cu(II) (M1 // M2) condition
Descriptor: HEME C, Soluble cytochrome b562, ZINC ION
Authors:Choi, T.S, Tezcan, F.A.
Deposit date:2022-07-21
Release date:2022-10-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior.
J.Am.Chem.Soc., 144, 2022
8DRD
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BU of 8drd by Molmil
Ni(II)-bound B2 dimer (H60/H100/H104)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, HEME C, NICKEL (II) ION, ...
Authors:Choi, T.S, Tezcan, F.A.
Deposit date:2022-07-20
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior.
J.Am.Chem.Soc., 144, 2022
8UAK
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BU of 8uak by Molmil
Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with Darovasertib (NVP-LXS196) at 2.82-A resolution
Descriptor: (6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide, Protein kinase C alpha type
Authors:Romanowski, M.J, Lam, J, Visser, M.
Deposit date:2023-09-21
Release date:2024-01-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma.
J.Med.Chem., 67, 2024
8DRL
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BU of 8drl by Molmil
Zn(II)-bound B2 dimer (H60/H100/H104) formed in Cu(II)//Zn(II) (M1 // M2) condition
Descriptor: HEME C, Soluble cytochrome b562, ZINC ION
Authors:Choi, T.S, Tezcan, F.A.
Deposit date:2022-07-21
Release date:2022-10-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior.
J.Am.Chem.Soc., 144, 2022
8DRF
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BU of 8drf by Molmil
Zn(II)-bound B2 dimer (H60/H100/H104)
Descriptor: HEME C, Soluble cytochrome b562, ZINC ION
Authors:Choi, T.S, Tezcan, F.A.
Deposit date:2022-07-20
Release date:2022-10-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior.
J.Am.Chem.Soc., 144, 2022
8TJT
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BU of 8tjt by Molmil
The Fab fragment of an anti-glucagon receptor (GCGR) antibody
Descriptor: anti-GCGR Fab heavy chain, anti-GCGR Fab light chain
Authors:Dai, J, Carter, P.J, Sudhamsu, J, Kung, J.
Deposit date:2023-07-24
Release date:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Variable domain mutational analysis to probe the molecular mechanisms of high viscosity of an IgG 1 antibody.
Mabs, 16, 2024
8UCH
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BU of 8uch by Molmil
Thermophilic RNA Ligase from Palaeococcus pacificus K92A + ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ...
Authors:Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W.
Deposit date:2023-09-26
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024

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PDB entries from 2024-10-09

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