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2IVS
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BU of 2ivs by Molmil
Crystal structure of non-phosphorylated RET tyrosine kinase domain
Descriptor: 2',3'- cyclic AMP, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
Authors:Knowles, P.P, Murray-Rust, J, McDonald, N.Q.
Deposit date:2006-06-16
Release date:2006-08-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Chemical Inhibition of the Ret Tyrosine Kinase Domain.
J.Biol.Chem., 281, 2006
6ZJ4
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BU of 6zj4 by Molmil
apo-Trehalose transferase (apo-TreT) from Thermoproteus uzoniensis
Descriptor: THIOCYANATE ION, Trehalose phosphorylase/synthase
Authors:Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U.
Deposit date:2020-06-27
Release date:2020-09-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020
5EJG
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BU of 5ejg by Molmil
Crystal structure of NAD kinase P252D mutant from Listeria monocytogenes
Descriptor: NAD kinase 1
Authors:Poncet-Montange, G, Assairi, L, Gelin, M, Pochet, S, Labesse, G.
Deposit date:2015-11-01
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.877 Å)
Cite:Crystal structure of NAD kinase 1 from Listeria monocytogenes: P252D mutant
to be published
7TBY
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BU of 7tby by Molmil
The structure of human ABCA1 in nanodisc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ATP-binding cassette, ...
Authors:Sun, Y, Li, X.
Deposit date:2021-12-22
Release date:2022-01-26
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Cholesterol efflux mechanism revealed by structural analysis of human ABCA1 conformational states.
Nat Cardiovasc Res, 1, 2022
5EJR
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BU of 5ejr by Molmil
Structure of Dictyostelium Discoideum Myosin VII MyTH4-FERM MF2 domain
Descriptor: 1,2-ETHANEDIOL, Myosin-I heavy chain
Authors:Planelles-Herrero, V.J, Sirkia, H, Sourigues, Y, Clause, J, Titus, M.A, Houdusse, A.
Deposit date:2015-11-02
Release date:2016-07-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Myosin MyTH4-FERM structures highlight important principles of convergent evolution.
Proc.Natl.Acad.Sci.USA, 113, 2016
6CTK
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BU of 6ctk by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHF-R/S isomers, beta, gamma dTTP analogue
Descriptor: 5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3'), ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2018-03-23
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
5EJY
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BU of 5ejy by Molmil
Structure of Dictyostelium Discoideum Myosin VII MyTH4-FERM MF1 domain
Descriptor: CHLORIDE ION, Myosin-I heavy chain, POLYETHYLENE GLYCOL (N=34)
Authors:Sirigu, S, Titus, M.A, Houdusse, A.
Deposit date:2015-11-02
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Myosin MyTH4-FERM structures highlight important principles of convergent evolution.
Proc.Natl.Acad.Sci.USA, 113, 2016
8XSE
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BU of 8xse by Molmil
SARS-CoV-2 RBD + IMCAS-123 + IMCAS-72 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-123 H chain, IMCAS-123 L chain, ...
Authors:Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J.
Deposit date:2024-01-09
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1.
Cell Rep, 43, 2024
7SQ6
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BU of 7sq6 by Molmil
Cryo-EM structure of mouse agonist ML-SA1-bound TRPML1 channel at 2.32 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, Mucolipin-1, ...
Authors:Gan, N, Han, Y, Jiang, Y.
Deposit date:2021-11-04
Release date:2022-02-02
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (2.32 Å)
Cite:Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin.
Proc.Natl.Acad.Sci.USA, 119, 2022
6CTU
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BU of 6ctu by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CFCL, beta, gamma dCTP analogue
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 4-amino-1-{5-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one, CHLORIDE ION, ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2018-03-23
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
6CTP
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BU of 6ctp by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CH2, beta, gamma dTTP analogue
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3'), ...
Authors:Batra, V.K, Wilson, S.H.
Deposit date:2018-03-23
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
5EN8
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BU of 5en8 by Molmil
Crystal structure of the N-terminal region of Smu1
Descriptor: SMU-1
Authors:Ulrich, A.K.C, Wahl, M.C.
Deposit date:2015-11-09
Release date:2016-04-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of the N-terminal region of Smu1
to be published
5EK8
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BU of 5ek8 by Molmil
Crystal structure of a 9R-lipoxygenase from Cyanothece PCC8801 at 2.7 Angstroms
Descriptor: FE (II) ION, Lipoxygenase, SODIUM ION
Authors:Feussner, I, Ficner, R, Neumann, P, Newie, J, Andreou, A, Einsle, O.
Deposit date:2015-11-03
Release date:2015-12-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a lipoxygenase from Cyanothece sp. may reveal novel features for substrate acquisition.
J.Lipid Res., 57, 2016
5ENH
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BU of 5enh by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-12 N11528 (SGC - Diamond I04-1 fragment screening)
Descriptor: PH-interacting protein, ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide
Authors:Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2015-11-09
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
6Z12
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BU of 6z12 by Molmil
Salmonella AcrB solubilised in the SMA copolymer
Descriptor: Efflux pump membrane transporter
Authors:Muench, s.p, Johnson, R.M.
Deposit date:2020-05-11
Release date:2020-07-22
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Cryo-EM Structure and Molecular Dynamics Analysis of the Fluoroquinolone Resistant Mutant of the AcrB Transporter fromSalmonella.
Microorganisms, 8, 2020
5EKJ
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BU of 5ekj by Molmil
Human Carbonic Anhydrase II complexed with a two-faced guest
Descriptor: 2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Roose, B.W, Dmochowski, I.J.
Deposit date:2015-11-03
Release date:2016-01-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.129 Å)
Cite:Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR.
Angew.Chem.Int.Ed.Engl., 55, 2016
5EKV
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BU of 5ekv by Molmil
Co-crystal structure of eIF4E with nucleotide mimetic inhibitor.
Descriptor: 3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4E-binding protein 1
Authors:Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M.
Deposit date:2015-11-04
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.61 Å)
Cite:Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
6Z1G
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BU of 6z1g by Molmil
CryoEM structure of the interaction between Rubisco Activase small-subunit-like (SSUL) domain with Rubisco from Nostoc sp. (strain PCC7120)
Descriptor: Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain, Ribulose bisphosphate carboxylase/oxygenase activase
Authors:Wang, H, Bracher, A, Flecken, M, Popilka, L, Hartl, F.U, Hayer-Hartl, M.
Deposit date:2020-05-13
Release date:2020-09-23
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (8.2 Å)
Cite:Dual Functions of a Rubisco Activase in Metabolic Repair and Recruitment to Carboxysomes.
Cell, 183, 2020
8XSF
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BU of 8xsf by Molmil
SARS-CoV-2 RBD + IMCAS-364 + hACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, IMCAS-364 H chain, ...
Authors:Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J.
Deposit date:2024-01-09
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (2.16 Å)
Cite:Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1.
Cell Rep, 43, 2024
6Z1Q
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BU of 6z1q by Molmil
MAP3K14 (NIK) in complex with DesF-3R/4076
Descriptor: DesF-3R/4076, Mitogen-activated protein kinase kinase kinase 14
Authors:Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R.
Deposit date:2020-05-14
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma
Future Drug Discov, 2, 2020
5EPB
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BU of 5epb by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
Descriptor: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide
Authors:Dong, J, Caflisch, A.
Deposit date:2015-11-11
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
To Be Published
6Z2N
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BU of 6z2n by Molmil
Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV-L6
Descriptor: 1,2-ETHANEDIOL, BCV-L6, FE (III) ION, ...
Authors:Naismith, J.H, Moynie, L.M.
Deposit date:2020-05-18
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.029 Å)
Cite:Hijacking of the Enterobactin Pathway by a Synthetic Catechol Vector Designed for Oxazolidinone Antibiotic Delivery in Pseudomonas aeruginosa.
Acs Infect Dis., 2022
5EPT
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BU of 5ept by Molmil
Crystal Structure of S. cerevisiae TSA2 in the disulfide state
Descriptor: Peroxiredoxin TSA2
Authors:Nielsen, M.H, Kidmose, R.T, Jenner, L.B.
Deposit date:2015-11-12
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (5 Å)
Cite:Structure of TSA2 reveals novel features of the active-site loop of peroxiredoxins.
Acta Crystallogr D Struct Biol, 72, 2016
6Z31
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BU of 6z31 by Molmil
Human cation-independent mannose 6-phosphate/ IGF2 receptor domain 8
Descriptor: CHLORIDE ION, Cation-independent mannose-6-phosphate receptor, SODIUM ION
Authors:Bochel, A.J, Williams, C, Crump, M.P.
Deposit date:2020-05-19
Release date:2020-08-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structure of the Human Cation-Independent Mannose 6-Phosphate/IGF2 Receptor Domains 7-11 Uncovers the Mannose 6-Phosphate Binding Site of Domain 9.
Structure, 28, 2020
6Z38
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BU of 6z38 by Molmil
TodX deltaS2S3 mutant monoaromatic hydrocarbon channel
Descriptor: TodX
Authors:van den Berg, B.
Deposit date:2020-05-19
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Uptake of monoaromatic hydrocarbons during biodegradation by FadL channel-mediated lateral diffusion.
Nat Commun, 11, 2020

224931

数据于2024-09-11公开中

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