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6VGQ
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BU of 6vgq by Molmil
ClpP1P2 complex from M. tuberculosis with GLF-CMK bound to ClpP1
Descriptor: ATP-dependent Clp protease proteolytic subunit, ATP-dependent Clp protease proteolytic subunit 1, Z-Gly-leu-phe-CH2Cl
Authors:Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E.
Deposit date:2020-01-08
Release date:2020-03-18
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR.
Proc.Natl.Acad.Sci.USA, 117, 2020
8FG4
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BU of 8fg4 by Molmil
HRAS R97L Crystal Form 1
Descriptor: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
Authors:Fetics, S, Johnson, C.W, Mattos, C.
Deposit date:2022-12-12
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
3TMM
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BU of 3tmm by Molmil
TFAM imposes a U-turn on mitochondrial DNA
Descriptor: DNA (28-MER), Transcription factor A, mitochondrial
Authors:Ngo, H.B, Kaiser, J.T, Chan, D.C.
Deposit date:2011-08-31
Release date:2011-11-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5001 Å)
Cite:The mitochondrial transcription and packaging factor Tfam imposes a U-turn on mitochondrial DNA.
Nat.Struct.Mol.Biol., 18, 2011
3OOI
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BU of 3ooi by Molmil
Crystal Structure of Human Histone-Lysine N-methyltransferase NSD1 SET domain in Complex with S-adenosyl-L-methionine
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, S-ADENOSYLMETHIONINE, ...
Authors:Qiao, Q, Wang, M, Xu, R.M.
Deposit date:2010-08-31
Release date:2010-12-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structure of NSD1 reveals an autoregulatory mechanism underlying histone H3K36 methylation
J.Biol.Chem., 286, 2010
3U3U
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BU of 3u3u by Molmil
Crystal structure of the tablysin-15-leukotriene E4 complex
Descriptor: (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid, CITRIC ACID, PRASEODYMIUM ION, ...
Authors:Andersen, J.F.
Deposit date:2011-10-06
Release date:2012-02-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of protein having inhibitory disintegrin and leukotriene scavenging functions contained in single domain.
J.Biol.Chem., 287, 2012
6VGK
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BU of 6vgk by Molmil
ClpP1P2 complex from M. tuberculosis
Descriptor: ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2
Authors:Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E.
Deposit date:2020-01-08
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR.
Proc.Natl.Acad.Sci.USA, 117, 2020
3S0X
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BU of 3s0x by Molmil
The crystal structure of GxGD membrane protease FlaK
Descriptor: Peptidase A24B, FlaK domain protein
Authors:Hu, J, Xue, Y, Ha, Y.
Deposit date:2011-05-13
Release date:2011-07-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:The crystal structure of GXGD membrane protease FlaK.
Nature, 475, 2011
8FG3
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BU of 8fg3 by Molmil
HRAS R97L Crystal Form 2
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Fetics, S, Johnson, C.W, Mattos, C.
Deposit date:2022-12-12
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Allosteric site variants affect GTP hydrolysis on Ras.
Protein Sci., 32, 2023
2X4U
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BU of 2x4u by Molmil
Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 Peptide RT468-476
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ...
Authors:Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M.
Deposit date:2010-02-02
Release date:2010-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
4QHN
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BU of 4qhn by Molmil
I2 (unbound) from CH103 Lineage
Descriptor: I2 heavy chain, I2 light chain
Authors:Fera, D, Harrison, S.C.
Deposit date:2014-05-28
Release date:2014-06-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains.
Proc.Natl.Acad.Sci.USA, 111, 2014
5KP4
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BU of 5kp4 by Molmil
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to 19-nortestosterone
Descriptor: (8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop enta[a]phenanthren-3-one, Steroid Delta-isomerase
Authors:Wu, Y, Boxer, S.G.
Deposit date:2016-07-01
Release date:2016-09-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.706 Å)
Cite:A Critical Test of the Electrostatic Contribution to Catalysis with Noncanonical Amino Acids in Ketosteroid Isomerase.
J.Am.Chem.Soc., 138, 2016
3SG8
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BU of 3sg8 by Molmil
Crystal Structure of Aminoglycoside-2''-Phosphotransferase Type IVa Tobramycin Complex
Descriptor: APH(2'')-Id, CHLORIDE ION, TOBRAMYCIN
Authors:Shi, K, Houston, D.R, Berghuis, A.M.
Deposit date:2011-06-14
Release date:2011-06-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Antibiotic-Bound Complexes of Aminoglycoside 2''-Phosphotransferase IVa Highlight the Diversity in Substrate Binding Modes among Aminoglycoside Kinases.
Biochemistry, 50, 2011
4CW0
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BU of 4cw0 by Molmil
Crystal structure of cofactor-free urate oxidase anaerobically complexed with 9-methyl uric acid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 9-METHYL URIC ACID, URICASE
Authors:Bui, S, Steiner, R.A.
Deposit date:2014-03-31
Release date:2014-10-29
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase.
Angew. Chem. Int. Ed. Engl., 53, 2014
4QHM
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BU of 4qhm by Molmil
I3.1 (unbound) from CH103 Lineage
Descriptor: I2 light chain, I3 heavy chain
Authors:Fera, D, Harrison, S.C.
Deposit date:2014-05-28
Release date:2014-06-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Affinity maturation in an HIV broadly neutralizing B-cell lineage through reorientation of variable domains.
Proc.Natl.Acad.Sci.USA, 111, 2014
6FG1
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BU of 6fg1 by Molmil
CRYSTAL STRUCTURE OF FAB OF NATALIZUMAB IN COMPLEX WITH FAB OF NAA32.
Descriptor: GLYCEROL, HEAVY CHAIN OF FAB NAA32, HEAVY CHAIN OF FAB NATALIZUMAB, ...
Authors:Bertrand, T, Pouzieux, S.
Deposit date:2018-01-09
Release date:2019-07-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:A single T cell epitope drives the neutralizing anti-drug antibody response to natalizumab in multiple sclerosis patients.
Nat. Med., 25, 2019
6N7Q
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BU of 6n7q by Molmil
Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to cyclised RON2 peptide
Descriptor: Apical membrane antigen-1, RON2 peptide
Authors:McGowan, S, Drinkwater, N.
Deposit date:2018-11-28
Release date:2019-01-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of the Binding Site of Apical Membrane Antigen 1 (AMA1) Inhibitors Using a Paramagnetic Probe.
ChemMedChem, 14, 2019
2LUQ
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BU of 2luq by Molmil
Solution structure of double-stranded RNA binding domain of S.cerevisiae RNase III (rnt1p)
Descriptor: Ribonuclease 3
Authors:Wang, Z, Feigon, J.
Deposit date:2012-06-19
Release date:2012-12-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Intrinsic Dynamics of an Extended Hydrophobic Core in the S. cerevisiae RNase III dsRBD Contributes to Recognition of Specific RNA Binding Sites.
J.Mol.Biol., 425, 2013
3OVO
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BU of 3ovo by Molmil
REFINED X-RAY CRYSTAL STRUCTURES OF THE REACTIVE SITE MODIFIED OVOMUCOID INHIBITOR THIRD DOMAINS FROM SILVER PHEASANT (OMSVP3(ASTERISK)) AND FROM JAPANESE QUAIL (OMJPQ3(ASTERISK))
Descriptor: OVOMUCOID THIRD DOMAIN CLEAVED RDI
Authors:Musil, D, Bode, W.
Deposit date:1991-05-13
Release date:1993-01-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Refined X-ray crystal structures of the reactive site modified ovomucoid inhibitor third domains from silver pheasant (OMSVP3*) and from Japanese quail (OMJPQ3*).
J.Mol.Biol., 220, 1991
6N95
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BU of 6n95 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-CoA
Descriptor: (2R)-sulfonatepropionyl-CoA, (2S)-sulfonatepropionyl-CoA, DI(HYDROXYETHYL)ETHER, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
3SG9
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BU of 3sg9 by Molmil
Crystal Structure of Aminoglycoside-2''-Phosphotransferase Type IVa Kanamycin A Complex
Descriptor: APH(2'')-Id, CHLORIDE ION, KANAMYCIN A
Authors:Shi, K, Houston, D.R, Berghuis, A.M.
Deposit date:2011-06-14
Release date:2011-06-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal Structures of Antibiotic-Bound Complexes of Aminoglycoside 2''-Phosphotransferase IVa Highlight the Diversity in Substrate Binding Modes among Aminoglycoside Kinases.
Biochemistry, 50, 2011
3PEP
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BU of 3pep by Molmil
REVISED 2.3 ANGSTROMS STRUCTURE OF PORCINE PEPSIN. EVIDENCE FOR A FLEXIBLE SUBDOMAIN
Descriptor: ETHANOL, PEPSIN
Authors:Abad-Zapatero, C, Erickson, J.W.
Deposit date:1989-10-24
Release date:1990-04-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Revised 2.3 A structure of porcine pepsin: evidence for a flexible subdomain
Proteins, 8, 1990
3SI5
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BU of 3si5 by Molmil
Kinetochore-BUBR1 kinase complex
Descriptor: Mitotic checkpoint serine/threonine-protein kinase BUB1 beta, Protein CASC5
Authors:Blundell, T.L, Chirgadze, D.Y, Bolanos-Garcia, V.M.
Deposit date:2011-06-17
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a Blinkin-BUBR1 Complex Reveals an Interaction Crucial for Kinetochore-Mitotic Checkpoint Regulation via an Unanticipated Binding Site.
Structure, 19, 2011
3SKF
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BU of 3skf by Molmil
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with (2S)-2-((3S)-3-(acetylamino)-3-(butan-2-yl)-2-oxopyrrolidin-1-yl)-N-((2S,3R)-3-hydroxy-4-((3-methoxybenzyl)amino)-1-phenylbutan-2-yl)-4-phenylbutanamide
Descriptor: (2S)-2-{(3S)-3-(acetylamino)-3-[(2S)-butan-2-yl]-2-oxopyrrolidin-1-yl}-N-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide, Beta-secretase 1, IODIDE ION
Authors:Muckelbauer, J.K.
Deposit date:2011-06-22
Release date:2011-08-31
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3SOS
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BU of 3sos by Molmil
Benzothiazinone inhibitor in complex with FXIa
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRIC ACID, Coagulation factor XI, ...
Authors:Fradera, X, Kazemier, B, Oubrie, A.
Deposit date:2011-06-30
Release date:2012-04-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:High-resolution crystal structures of factor XIa coagulation factor in complex with nonbasic high-affinity synthetic inhibitors.
Acta Crystallogr.,Sect.F, 68, 2012
3PEC
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BU of 3pec by Molmil
Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
Descriptor: 9-{hydroxy[(5S,6R)-6-hydroxy-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid, FE (III) ION, GLYCEROL, ...
Authors:Clifton, M.C.
Deposit date:2010-10-25
Release date:2011-10-05
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis
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