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1RIL
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BU of 1ril by Molmil
CRYSTAL STRUCTURE OF RIBONUCLEASE H FROM THERMUS THERMOPHILUS HB8 REFINED AT 2.8 ANGSTROMS RESOLUTION
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Okumura, M, Katayanagi, K, Kimura, S, Kanaya, S, Nakamura, H, Morikawa, K.
Deposit date:1993-01-14
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of ribonuclease H from Thermus thermophilus HB8 refined at 2.8 A resolution.
J.Mol.Biol., 230, 1993
1RBS
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BU of 1rbs by Molmil
STRUCTURAL STUDY OF MUTANTS OF ESCHERICHIA COLI RIBONUCLEASE HI WITH ENHANCED THERMOSTABILITY
Descriptor: RIBONUCLEASE H
Authors:Ishikawa, K, Kimura, S, Kanaya, S, Morikawa, K, Nakamura, H.
Deposit date:1993-02-16
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural study of mutants of Escherichia coli ribonuclease HI with enhanced thermostability.
Protein Eng., 6, 1993
5XST
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BU of 5xst by Molmil
novel orally efficacious inhibitors complexed with PARP1
Descriptor: 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Liu, Q, Xu, Y.
Deposit date:2017-06-15
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
1ZZ8
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BU of 1zz8 by Molmil
Crystal Structure of FeII HppE in Complex with Substrate Form 2
Descriptor: (S)-2-HYDROXYPROPYLPHOSPHONIC ACID, FE (II) ION, Hydroxypropylphosphonic Acid Epoxidase
Authors:Higgins, L.J, Yan, F, Liu, P, Liu, H.W, Drennan, C.L.
Deposit date:2005-06-13
Release date:2005-07-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insight into antibiotic fosfomycin biosynthesis by a mononuclear iron enzyme
Nature, 437, 2005
6V1T
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BU of 6v1t by Molmil
Empty AAVrh.39 particle
Descriptor: Capsid protein VP1
Authors:Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2019-11-21
Release date:2019-12-11
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Comparative Analysis of the Capsid Structures of AAVrh.10, AAVrh.39, and AAV8.
J.Virol., 94, 2020
8SMD
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BU of 8smd by Molmil
Structure of Clostridium botulinum prophage Tad1 in complex with 1''-3' gcADPR
Descriptor: (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, ABC transporter ATPase
Authors:Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J.
Deposit date:2023-04-26
Release date:2023-11-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
8SMG
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BU of 8smg by Molmil
Structure of SPO1 phage Tad2 in complex with 1''-2' gcADPR
Descriptor: (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, Gp34.65
Authors:Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J.
Deposit date:2023-04-26
Release date:2023-11-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
8SMF
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BU of 8smf by Molmil
Structure of SPO1 phage Tad2 in complex with 1''-3' gcADPR
Descriptor: (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, Gp34.65, MAGNESIUM ION
Authors:Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J.
Deposit date:2023-04-26
Release date:2023-11-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
8SME
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BU of 8sme by Molmil
Structure of SPO1 phage Tad2 in apo state
Descriptor: Gp34.65
Authors:Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J.
Deposit date:2023-04-26
Release date:2023-11-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
5XXD
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BU of 5xxd by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 1
Descriptor: S-ADENOSYLMETHIONINE, Smyd3 methyltransferase, ZINC ION, ...
Authors:Baburajendran, N, Anna E, J.
Deposit date:2017-07-03
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.314 Å)
Cite:Crystal structure of SmyD3 in complex with covalent inhibitor 1
To Be Published
5JM4
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BU of 5jm4 by Molmil
Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain
Descriptor: 14-3-3 protein zeta/delta, BENZOIC ACID, GLN-GLY-MKD-ANG-ASP-MKD-LEU-ASP-LEU-ALA-CLU
Authors:Bier, D, Krueger, D, Glas, A, Wallraven, K, Ottmann, C, Hennig, S, Grossmann, T.
Deposit date:2016-04-28
Release date:2017-05-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein Interactions.
J. Med. Chem., 60, 2017
5XXJ
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BU of 5xxj by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 3
Descriptor: S-ADENOSYLMETHIONINE, SMYD3, ZINC ION, ...
Authors:Baburajendran, N, Jansson, A.E.
Deposit date:2017-07-04
Release date:2018-08-08
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:Crystal structure of SmyD3 in complex with covalent inhibitor 3
To Be Published
5XSR
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BU of 5xsr by Molmil
novel orally efficacious inhibitors complexed with PARP1
Descriptor: 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION
Authors:Liu, Q, Xu, Y.
Deposit date:2017-06-15
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors
Eur J Med Chem, 145, 2018
5ITG
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BU of 5itg by Molmil
Crystal structure of D-sorbitol dehydrogenase in substrate-free form
Descriptor: Sorbitol dehydrogenase
Authors:Jung, W.S, Pan, C.H.
Deposit date:2016-03-16
Release date:2017-03-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A highly efficient sorbitol dehydrogenase from Gluconobacter oxydans G624 and improvement of its stability through immobilization
Sci Rep, 6, 2016
5XXG
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BU of 5xxg by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 2
Descriptor: S-ADENOSYLMETHIONINE, SMYD3, ZINC ION, ...
Authors:Baburajendran, N, Jansson, E.A.
Deposit date:2017-07-03
Release date:2018-08-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of SmyD3 in complex with covalent inhibitor 2
To Be Published
4N84
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BU of 4n84 by Molmil
Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS
Descriptor: 14-3-3 protein zeta/delta, Exoenzyme S
Authors:Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
Deposit date:2013-10-17
Release date:2014-02-19
Last modified:2014-03-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
1KLS
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BU of 1kls by Molmil
NMR Structure of the ZFY-6T[Y10L] Zinc Finger
Descriptor: ZINC FINGER Y-CHROMOSOMAL PROTEIN, ZINC ION
Authors:Lachenmann, M.J, Ladbury, J.E, Phillips, N.B, Narayana, N, Qian, X, Weiss, M.A.
Deposit date:2001-12-12
Release date:2002-03-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The hidden thermodynamics of a zinc finger.
J.Mol.Biol., 316, 2002
5KPK
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BU of 5kpk by Molmil
Glycogen Synthase Kinase 3 beta Complexed with BRD0209
Descriptor: (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta
Authors:Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K.
Deposit date:2016-07-04
Release date:2018-03-14
Last modified:2018-03-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia.
Sci Transl Med, 10, 2018
1VRU
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BU of 1vru by Molmil
HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
Descriptor: ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE, HIV-1 REVERSE TRANSCRIPTASE
Authors:Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
Deposit date:1995-04-19
Release date:1996-04-03
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
1VRT
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BU of 1vrt by Molmil
HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES
Descriptor: 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
Authors:Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D.
Deposit date:1995-04-19
Release date:1996-04-03
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High resolution structures of HIV-1 RT from four RT-inhibitor complexes.
Nat.Struct.Biol., 2, 1995
8FZZ
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BU of 8fzz by Molmil
Phocaeicola vulgatus type VI secretion system Ntox15 effector and immunity Tde2/Tdi2
Descriptor: DUF1851 domain-containing protein, Ntox15 domain-containing protein
Authors:Bosch, D.E, Mougous, J.D.
Deposit date:2023-01-30
Release date:2023-07-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural disruption of Ntox15 nuclease effector domains by immunity proteins protects against type VI secretion system intoxication in Bacteroidales.
Mbio, 14, 2023
1KLR
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BU of 1klr by Molmil
NMR Structure of the ZFY-6T[Y10F] Zinc Finger
Descriptor: ZINC FINGER Y-CHROMOSOMAL PROTEIN, ZINC ION
Authors:Lachenmann, M.J, Ladbury, J.E, Phillips, N.B, Narayana, N, Qian, X, Weiss, M.A.
Deposit date:2001-12-12
Release date:2002-03-13
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The hidden thermodynamics of a zinc finger.
J.Mol.Biol., 316, 2002
8JNY
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BU of 8jny by Molmil
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
Descriptor: 6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide, Poly [ADP-ribose] polymerase 2
Authors:Wang, X.Y, Wang, C.Y, Zhou, J, Xu, B.L.
Deposit date:2023-06-06
Release date:2024-06-12
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to a pyrazolopyrimidine carboxamide inhibitor
To Be Published
5L9V
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BU of 5l9v by Molmil
HIF prolyl hydroxylase 2 (PHD2-R281C/P317C) cross-linked to HIF-1alpha NODD-L397C/D412C and N-oxalylglycine (NOG) (complex-1)
Descriptor: Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-11
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.829 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016
5LAS
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BU of 5las by Molmil
HIF prolyl hydroxylase 2 (PHD2-R281C/P317C/R396T) cross-linked to HIF-1alpha NODD-L397C/D412C and N-oxalylglycine (NOG) (complex-3)
Descriptor: Egl nine homolog 1, Hypoxia-inducible factor 1-alpha, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2016-06-14
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.
Nat Commun, 7, 2016

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