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4YEP
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BU of 4yep by Molmil
L4b Domain of Human Laminin alpha-2
Descriptor: 1,2-ETHANEDIOL, Laminin subunit alpha-2
Authors:Toot, M, Gat, Y, Fass, D.
Deposit date:2015-02-24
Release date:2015-05-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Laminin L4 domain structure resembles adhesion modules in ephrin receptor and other transmembrane glycoproteins.
Febs J., 282, 2015
4Y9N
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BU of 4y9n by Molmil
PA3825-EAL Metal-Free-Apo Structure - Magnesium Co-crystallisation
Descriptor: PA3825-EAL, PHOSPHATE ION
Authors:Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A.
Deposit date:2015-02-17
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of PA3825 from P. aeruginosa bound to cyclic di-GMP and pGpG: new insights for a potential three-metal catalytic mechanism of EAL domains
To Be Published
4YH3
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BU of 4yh3 by Molmil
Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a)
Descriptor: 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4
Authors:White, A, Lakshminarasimhan, D, Suto, R.K.
Deposit date:2015-02-26
Release date:2016-01-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
1FPY
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BU of 1fpy by Molmil
CRYSTAL STRUCTURE OF GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM WITH INHIBITOR PHOSPHINOTHRICIN
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLUTAMINE SYNTHETASE, MANGANESE (II) ION, ...
Authors:Gill, H.S, Eisenberg, D.
Deposit date:2000-08-31
Release date:2001-04-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The crystal structure of phosphinothricin in the active site of glutamine synthetase illuminates the mechanism of enzymatic inhibition.
Biochemistry, 40, 2001
8FR7
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BU of 8fr7 by Molmil
A hinge glycan regulates spike bending and impacts coronavirus infectivity
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pintilie, G, Wilson, E, Chmielewski, D, Schmid, M.F, Jin, J, Chen, M, Singharoy, A, Chiu, W.
Deposit date:2023-01-06
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:A hinge glycan regulates spike bending and impacts coronavirus infectivity
To Be Published
4YEW
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BU of 4yew by Molmil
HUab-19bp
Descriptor: DNA-binding protein HU-alpha, DNA-binding protein HU-beta, synthetic DNA strand
Authors:Hammel, M, Reyes, F.E, Parpana, R, Tainer, J.A, Adhya, S, Amlanjyoti, D.
Deposit date:2015-02-24
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.683 Å)
Cite:HU multimerization shift controls nucleoid compaction.
Sci Adv, 2, 2016
1FMN
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BU of 1fmn by Molmil
SOLUTION STRUCTURE OF FMN-RNA APTAMER COMPLEX, NMR, 5 STRUCTURES
Descriptor: FLAVIN MONONUCLEOTIDE, RNA (5'-R(*GP*GP*CP*GP*UP*GP*UP*AP*GP*GP *AP*UP*AP*UP*GP*CP*UP*UP*CP*GP*GP*CP*AP*GP*AP*AP*GP *GP*AP*CP*AP*CP*GP*CP*C)-3')
Authors:Fan, P, Suri, A.K, Fiala, R, Live, D, Patel, D.J.
Deposit date:1995-12-04
Release date:1996-07-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Molecular recognition in the FMN-RNA aptamer complex.
J.Mol.Biol., 258, 1996
8FEC
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BU of 8fec by Molmil
Structure of J-PKAc chimera complexed with Aplithianine derivative
Descriptor: 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-06
Release date:2023-10-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
1FRA
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BU of 1fra by Molmil
TERTIARY STRUCTURE OF ERABUTOXIN B IN AQUEOUS SOLUTION ELUCIDATED BY TWO-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE
Descriptor: ERABUTOXIN B
Authors:Hatanaka, H, Kohda, D, Inagaki, F.
Deposit date:1994-03-28
Release date:1994-06-22
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Tertiary structure of erabutoxin b in aqueous solution as elucidated by two-dimensional nuclear magnetic resonance.
J.Mol.Biol., 240, 1994
8FE2
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BU of 8fe2 by Molmil
Structure of J-PKAc chimera complexed with Aplithianine A
Descriptor: 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R.
Deposit date:2022-12-05
Release date:2023-10-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
4PGJ
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BU of 4pgj by Molmil
Human heavy-chain domain antibody in complex with hen egg-white lysozyme
Descriptor: Human heavy chain domain antibody, Lysozyme C
Authors:Christ, D, Langley, D.B, Rouet, R.
Deposit date:2014-05-02
Release date:2015-03-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fully Human VH Single Domains That Rival the Stability and Cleft Recognition of Camelid Antibodies.
J.Biol.Chem., 290, 2015
1FHT
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BU of 1fht by Molmil
RNA-BINDING DOMAIN OF THE U1A SPLICEOSOMAL PROTEIN U1A117, NMR, 43 STRUCTURES
Descriptor: U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
Authors:Allain, F.H.-T, Gubser, C.C, Howe, P.W.A, Nagai, K, Neuhaus, D, Varani, G.
Deposit date:1996-02-21
Release date:1996-07-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the N-terminal RNP domain of U1A protein: the role of C-terminal residues in structure stability and RNA binding.
J.Mol.Biol., 257, 1996
6PNJ
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BU of 6pnj by Molmil
Structure of Photosystem I Acclimated to Far-red Light
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Gisriel, C.J, Shen, G, Kurashov, V, Ho, M, Zhang, S, Williams, D, Golbeck, J.H, Fromme, P, Bryant, D.A.
Deposit date:2019-07-02
Release date:2020-02-12
Last modified:2020-02-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:The structure of Photosystem I acclimated to far-red light illuminates an ecologically important acclimation process in photosynthesis
Sci Adv, 6, 2020
8FZW
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BU of 8fzw by Molmil
Thaumatin crystallized in cyclic olefin copolymer-based microfluidic chips
Descriptor: L(+)-TARTARIC ACID, Thaumatin I
Authors:Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L.
Deposit date:2023-01-30
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
1FIG
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BU of 1fig by Molmil
ROUTES TO CATALYSIS: STRUCTURE OF A CATALYTIC ANTIBODY AND COMPARISON WITH ITS NATURAL COUNTERPART
Descriptor: 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, IGG1-KAPPA 1F7 FAB (HEAVY CHAIN), IGG1-KAPPA 1F7 FAB (LIGHT CHAIN)
Authors:Haynes, M.R, Stura, E.A, Hilvert, D, Wilson, I.A.
Deposit date:1994-01-07
Release date:1994-05-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3 Å)
Cite:Routes to catalysis: structure of a catalytic antibody and comparison with its natural counterpart.
Science, 263, 1994
1GJZ
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BU of 1gjz by Molmil
Solution structure of a dimeric N-terminal fragment of human ubiquitin
Descriptor: UBIQUITIN
Authors:Bolton, D, Evans, P.A, Stott, K, Broadhurst, R.W.
Deposit date:2001-08-06
Release date:2001-12-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and Properties of a Dimeric N-Terminal Fragment of Human Ubiquitin.
J.Mol.Biol., 314, 2001
4YTN
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BU of 4ytn by Molmil
Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with N-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide
Descriptor: Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K.
Deposit date:2015-03-18
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:New Insights into the Design of Inhibitors Targeted for Parasitic Anaerobic Energy Metabolism
To Be Published
1FZX
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BU of 1fzx by Molmil
NMR SOLUTION STRUCTURE OF THE DNA DODECAMER GGCAAAAAACGG
Descriptor: 5'-D(*CP*CP*GP*TP*TP*TP*TP*TP*TP*GP*CP*C)-3', 5'-D(*GP*GP*CP*AP*AP*AP*AP*AP*AP*CP*GP*G)-3'
Authors:MacDonald, D, Herbert, K, Zhang, X, Pologruto, T, Lu, P.
Deposit date:2000-10-04
Release date:2001-03-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of an A-tract DNA bend.
J.Mol.Biol., 306, 2001
1G0F
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BU of 1g0f by Molmil
SITE-SPECIFIC MUTANT (HIS64 REPLACED WITH ALA) OF HUMAN CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Duda, D, McKenna, R.
Deposit date:2000-10-06
Release date:2000-10-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and kinetic analysis of the chemical rescue of the proton transfer function of carbonic anhydrase II.
Biochemistry, 40, 2001
8DI5
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BU of 8di5 by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with VH domain F6 (focused refinement of RBD and VH F6)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S.
Deposit date:2022-06-28
Release date:2022-08-24
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains.
Iscience, 25, 2022
8CXQ
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BU of 8cxq by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 1-22
Descriptor: Spike glycoprotein, pan-sarbecovirus nanobody 1-22
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-22
Release date:2022-07-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8FAR
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BU of 8far by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: I432-1-CC
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-11-28
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.66 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CY6
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BU of 8cy6 by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-65
Descriptor: Spike glycoprotein, pan-sarbecovirus nanobody 2-65
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CYC
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BU of 8cyc by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-34
Descriptor: Spike glycoprotein, pan-sarbecovirus nanobody 2-34
Authors:Huang, W, Taylor, D.
Deposit date:2022-05-23
Release date:2022-07-06
Last modified:2022-07-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
1G68
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BU of 1g68 by Molmil
PSE-4 CARBENICILLINASE, WILD TYPE
Descriptor: BETA-LACTAMASE PSE-4, SULFATE ION
Authors:Lim, D, Sanschagrin, F, Passmore, L, De Castro, L, Levesque, R.C, Strynadka, N.C.J.
Deposit date:2000-11-03
Release date:2001-02-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Insights into the molecular basis for the carbenicillinase activity of PSE-4 beta-lactamase from crystallographic and kinetic studies.
Biochemistry, 40, 2001

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