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7VPC
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BU of 7vpc by Molmil
Neryl diphosphate synthase from Solanum lycopersicum
Descriptor: 1,2-ETHANEDIOL, D-MALATE, Neryl-diphosphate synthase 1
Authors:Imaizumi, R, Misawa, S, Takeshita, K, Sakai, N, Yamamoto, M, Kataoka, K, Nakayama, T, Takahashi, S, Yamashita, S.
Deposit date:2021-10-15
Release date:2022-05-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure-based engineering of a short-chain cis-prenyltransferase to biosynthesize nonnatural all-cis-polyisoprenoids: molecular mechanisms for primer substrate recognition and ultimate product chain-length determination.
Febs J., 289, 2022
8OTN
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BU of 8otn by Molmil
structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one
Descriptor: 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L.
Deposit date:2023-04-21
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
8BJT
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BU of 8bjt by Molmil
Structure of human PLK1 in complex with 2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
Descriptor: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
Authors:Musil, D, Liu-Bujalski, L.
Deposit date:2022-11-06
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.188 Å)
Cite:Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
8BJU
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BU of 8bju by Molmil
HUMAN WEE1 KINASE IN COMPLEX WITH INHIBITOR 1-[6-(1-Hydroxy-1-methyl-ethyl)-pyridin-2-yl]-2-(2-methoxy-phenyl)-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
Descriptor: 2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase
Authors:Musil, D, Lan, R.
Deposit date:2022-11-06
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
6FII
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BU of 6fii by Molmil
Tubulin-Spongistatin complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Menchon, G, Prota, A.E, Lucena Angell, D, Bucher, P, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O.
Deposit date:2018-01-18
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.405 Å)
Cite:A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin.
Nat Commun, 9, 2018
8B9S
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BU of 8b9s by Molmil
NATIVE FORM, THERMOSTABLE LIPASE FROM THERMOANAEROBACTER THERMOHYDROSULFURICUS
Descriptor: DECANE, GLYCEROL, PHOSPHATE ION, ...
Authors:Pinotsis, N, Wilmanns, M.
Deposit date:2022-10-06
Release date:2023-10-18
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Discovery of a non-canonical prototype long-chain monoacylglycerol lipase through a structure-based endogenous reaction intermediate complex.
Nat Commun, 14, 2023
1FQG
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BU of 1fqg by Molmil
MOLECULAR STRUCTURE OF THE ACYL-ENZYME INTERMEDIATE IN TEM-1 BETA-LACTAMASE
Descriptor: OPEN FORM - PENICILLIN G, TEM-1 BETA-LACTAMASE
Authors:Strynadka, N.C.
Deposit date:2000-09-05
Release date:2000-11-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular structure of the acyl-enzyme intermediate in beta-lactam hydrolysis at 1.7 A resolution.
Nature, 359, 1992
6H1E
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BU of 6h1e by Molmil
Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide
Descriptor: HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ...
Authors:Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R.
Deposit date:2018-07-11
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
5TMF
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BU of 5tmf by Molmil
Re-refinement of thermus thermophilus RNA polymerase
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Wang, J.
Deposit date:2016-10-12
Release date:2016-11-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:On the validation of crystallographic symmetry and the quality of structures.
Protein Sci., 24, 2015
1VFJ
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BU of 1vfj by Molmil
Crystal structure of TT1020 from Thermus thermophilus HB8
Descriptor: nitrogen regulatory protein p-II
Authors:Wang, H, Sakai, H, Takemoto-Hori, C, Kaminishi, T, Terada, T, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-04-15
Release date:2005-01-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of the signal transducing protein GlnK from Thermus thermophilus HB8
J.STRUCT.BIOL., 149, 2005
1O8Y
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BU of 1o8y by Molmil
Solution structure of SFTI-1(6,5), an acyclic permutant of the proteinase inhibitor SFTI-1, trans-trans-trans conformer (tt-A)
Descriptor: CYCLIC TRYPSIN INHIBITOR
Authors:Marx, U.C, Craik, D.J.
Deposit date:2002-12-09
Release date:2003-03-13
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Enzymatic Cyclization of a Potent Bowman-Birk Protease Inhibitor, Sunflower Trypsin Inhibitor-1, and Solution Structure of an Acyclic Precursor Peptide
J.Biol.Chem., 278, 2003
8PJU
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BU of 8pju by Molmil
Crystal structure of the computationally designed SAKe6DEtal protein
Descriptor: SAKe6DEtal
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8PJQ
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BU of 8pjq by Molmil
Crystal structure of the SAKe2BE protein
Descriptor: SAKe2BE
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
5F8B
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BU of 5f8b by Molmil
Crystallographic Structure of PsoE with Co
Descriptor: (5~{S},8~{S},9~{R})-2-[(~{E})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, COBALT (II) ION, GLUTATHIONE, ...
Authors:Hara, K, Hashimoto, H, Yamamoto, T, Tsunematsu, Y, Watanabe, K.
Deposit date:2015-12-09
Release date:2016-04-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Oxidative trans to cis Isomerization of Olefins in Polyketide Biosynthesis.
Angew. Chem. Int. Ed. Engl., 55, 2016
8PKQ
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BU of 8pkq by Molmil
Crystal structure of PknD-34, a repeat fragment from the M. tuberculosis PknD beta-propeller
Descriptor: non-specific serine/threonine protein kinase
Authors:Wouters, S.M.L.
Deposit date:2023-06-27
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-based assembly of a symmetric protein scaffold
To Be Published
8PJW
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BU of 8pjw by Molmil
Crystal structure of the computationally designed SAKe6FE protein
Descriptor: SAKe6FE
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8PKS
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BU of 8pks by Molmil
Low resolution crystal structure of Keap1-456, a repeat fragment from the human Keap1 beta-propeller
Descriptor: Kelch-like ECH-associated protein 1
Authors:Wouters, S.M.L.
Deposit date:2023-06-27
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-based assembly of a symmetric protein scaffold
To Be Published
8PJZ
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BU of 8pjz by Molmil
Crystal structure of the computationally designed SAKe6EEtal protein
Descriptor: SAKe6EEtal
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8PJY
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BU of 8pjy by Molmil
Crystal structure of the computationally designed SAKe6EEref protein
Descriptor: SAKe6EEref
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8PJV
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BU of 8pjv by Molmil
Crystal structure of the computationally designed SAKe6DR protein
Descriptor: SAKe6DR
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8PJX
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BU of 8pjx by Molmil
Crystal structure of the computationally designed SAKe6FR protein
Descriptor: CALCIUM ION, SAKe6FR
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8PJR
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BU of 8pjr by Molmil
Crystal structure of the SAKe6AC-LB protein
Descriptor: SAKe6AC-LB
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Computational design of the SAKe scaffold protein
To Be Published
8PKR
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BU of 8pkr by Molmil
Crystal structure of PknD-345, a repeat fragment from the M. tuberculosis PknD beta-propeller
Descriptor: GLYCEROL, non-specific serine/threonine protein kinase
Authors:Wouters, S.M.L.
Deposit date:2023-06-27
Release date:2024-07-10
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8PJS
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BU of 8pjs by Molmil
Crystal structure of the computationally designed SAKe6CEref protein
Descriptor: SAKeCEref
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8PJT
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BU of 8pjt by Molmil
Crystal structure of the computationally designed SAKe6DEref protein
Descriptor: SAKe6DEref
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published

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数据于2024-10-30公开中

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