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8TTF
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BU of 8ttf by Molmil
NorA double mutant - E222QD307N at pH 7.5
Descriptor: Heavy Chain of FabDA1 Variable Domain, Light Chain of FabDA1 Variable Domain, Quinolone resistance protein NorA
Authors:Li, J.P, Li, Y, Koide, A, Kuang, H.H, Torres, V.J, Koide, S, Wang, D.N, Traaseth, N.J.
Deposit date:2023-08-13
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Proton-coupled transport mechanism of the efflux pump NorA.
Nat Commun, 15, 2024
1J0E
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BU of 1j0e by Molmil
ACC deaminase mutant reacton intermediate
Descriptor: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 1-aminocyclopropane-1-carboxylate deaminase, PYRIDOXAL-5'-PHOSPHATE
Authors:Ose, T, Fujino, A, Yao, M, Honma, M, Tanaka, I.
Deposit date:2002-11-12
Release date:2003-05-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Reaction intermediate structures of 1-aminocyclopropane-1-carboxylate deaminase: insight into PLP-dependent cyclopropane ring-opening reaction
J.BIOL.CHEM., 278, 2003
8TNW
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BU of 8tnw by Molmil
Substrate Binding Plasticity Revealed by Cryo-EM Structures of SLC26A2
Descriptor: CHLORIDE ION, Sulfate transporter
Authors:Hu, W, Song, A.
Deposit date:2023-08-02
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Substrate binding plasticity revealed by Cryo-EM structures of SLC26A2.
Nat Commun, 15, 2024
8T42
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BU of 8t42 by Molmil
Model of TTLL6 MTBH1-2 bound to microtubule
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Mahalingan, K.K, Grotjahn, D, Li, Y, Lander, G.C, Zehr, E.A, Roll-Mecak, A.
Deposit date:2023-06-08
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for alpha-tubulin-specific and modification state-dependent glutamylation.
Nat.Chem.Biol., 2024
8TOI
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BU of 8toi by Molmil
nhTMEM16 lipid scramblase in lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+ (closed state)
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-03
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
5MJ6
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BU of 5mj6 by Molmil
Ligand-induced conformational change of Insulin-regulated aminopeptidase: insights on catalytic mechanism and active site plasticity.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
Authors:Mpakali, A, Stratikos, E, Saridakis, E, Giastas, P.
Deposit date:2016-11-30
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Ligand-Induced Conformational Change of Insulin-Regulated Aminopeptidase: Insights on Catalytic Mechanism and Active Site Plasticity.
J. Med. Chem., 60, 2017
8TOL
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BU of 8tol by Molmil
nhTMEM16 lipid scramblase in lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+ (open state)
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-03
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
1B5S
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BU of 1b5s by Molmil
DIHYDROLIPOYL TRANSACETYLASE (E.C.2.3.1.12) CATALYTIC DOMAIN (RESIDUES 184-425) FROM BACILLUS STEAROTHERMOPHILUS
Descriptor: DIHYDROLIPOAMIDE ACETYLTRANSFERASE
Authors:Izard, T, Aevarsson, A, Allen, M.D, Westphal, A.H, Perham, R.N, De Kok, A, Hol, W.G.
Deposit date:1999-01-10
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:Principles of quasi-equivalence and Euclidean geometry govern the assembly of cubic and dodecahedral cores of pyruvate dehydrogenase complexes.
Proc.Natl.Acad.Sci.USA, 96, 1999
1IRI
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BU of 1iri by Molmil
Crystal structure of human autocrine motility factor complexed with an inhibitor
Descriptor: ERYTHOSE-4-PHOSPHATE, autocrine motility factor
Authors:Tanaka, N, Haga, A, Uemura, H, Akiyama, H, Funasaka, T, Nagase, H, Raz, A, Nakamura, K.T.
Deposit date:2001-10-08
Release date:2002-06-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibition mechanism of cytokine activity of human autocrine motility factor examined by crystal structure analyses and site-directed mutagenesis studies.
J.Mol.Biol., 318, 2002
4C2D
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BU of 4c2d by Molmil
Crystal structure of the protease CtpB in an active state
Descriptor: CARBOXY-TERMINAL PROCESSING PROTEASE CTPB, PEPTIDE1, PEPTIDE2
Authors:Mastny, M, Heuck, A, Kurzbauer, R, Clausen, T.
Deposit date:2013-08-17
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ctpb Assembles a Gated Protease Tunnel Regulating Cell-Cell Signaling During Spore Formation in Bacillus Subtilis.
Cell(Cambridge,Mass.), 155, 2013
8Q3U
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BU of 8q3u by Molmil
Crystal structure of a fentanyl derivative in complex with human CA VII
Descriptor: Carbonic anhydrase 7, GLYCEROL, ZINC ION, ...
Authors:Alterio, V, Di Fiore, A, De Simone, G.
Deposit date:2023-08-04
Release date:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Discovery of a novel series of potent carbonic anhydrase inhibitors with selective affinity for mu Opioid receptor for Safer and long-lasting analgesia.
Eur.J.Med.Chem., 260, 2023
8TPP
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BU of 8tpp by Molmil
nhTMEM16 R432A mutant in lipid nanodiscs with MSP2N2 scaffold protein in the presence of Ca2+
Descriptor: CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
8TTE
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BU of 8tte by Molmil
Protonated state of NorA at pH 5.0
Descriptor: FabDA1 CDRH3 loop, Quinolone resistance protein NorA
Authors:Li, J.P, Li, Y, Koide, A, Kuang, H.H, Torres, V.J, Koide, S, Wang, D.N, Traaseth, N.J.
Deposit date:2023-08-13
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Proton-coupled transport mechanism of the efflux pump NorA.
Nat Commun, 15, 2024
4C2E
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BU of 4c2e by Molmil
Crystal structure of the protease CtpB(S309A) present in a resting state
Descriptor: CARBOXY-TERMINAL PROCESSING PROTEASE CTPB
Authors:Mastny, M, Heuck, A, Kurzbauer, R, Clausen, T.
Deposit date:2013-08-17
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Ctpb Assembles a Gated Protease Tunnel Regulating Cell-Cell Signaling During Spore Formation in Bacillus Subtilis.
Cell(Cambridge,Mass.), 155, 2013
8TPT
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BU of 8tpt by Molmil
nhTMEM16 A444P mutant in lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+ (long TM6/short TM6)
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Lipid scramblase nhTMEM16
Authors:Feng, Z, Accardi, A.
Deposit date:2023-08-04
Release date:2024-05-08
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis of closed groove scrambling by a TMEM16 protein.
Nat.Struct.Mol.Biol., 2024
4C59
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BU of 4c59 by Molmil
Structure of GAK kinase in complex with nanobody (NbGAK_4)
Descriptor: (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cyclin-G-associated kinase, NANOBODY
Authors:Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S.
Deposit date:2013-09-10
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
5MBW
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BU of 5mbw by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH Pep#3
Descriptor: BACE1 INHIBITOR PEPTIDE Pep#3, Beta-secretase 1, CHLORIDE ION
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-11-09
Release date:2017-09-27
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
8TNX
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BU of 8tnx by Molmil
Substrate Binding Plasticity Revealed by Cryo-EM Structures of SLC26A2
Descriptor: OXALATE ION, Sulfate transporter
Authors:Hu, W, Song, A.
Deposit date:2023-08-02
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Substrate binding plasticity revealed by Cryo-EM structures of SLC26A2.
Nat Commun, 15, 2024
8TTG
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BU of 8ttg by Molmil
NorA single mutant - E222Q at pH 7.5
Descriptor: FabDA1 CDRH3 loop, Quinolone resistance protein NorA
Authors:Li, J.P, Li, Y, Koide, A, Kuang, H.H, Torres, V.J, Koide, S, Wang, D.N, Traaseth, N.J.
Deposit date:2023-08-13
Release date:2024-05-29
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Proton-coupled transport mechanism of the efflux pump NorA.
Nat Commun, 15, 2024
5MCO
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BU of 5mco by Molmil
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE INHIBITOR GRL-8234 AND EXOSITE PEPTIDE
Descriptor: BACE-1 EXOSITE PEPTIDE, Beta-secretase 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
Authors:Kuglstatter, A, Stihle, M, Benz, J.
Deposit date:2016-11-10
Release date:2017-09-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
8TNY
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BU of 8tny by Molmil
Substrate Binding Plasticity Revealed by Cryo-EM Structures of SLC26A2
Descriptor: SULFATE ION, Sulfate transporter
Authors:Hu, W, Song, A.
Deposit date:2023-08-02
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Substrate binding plasticity revealed by Cryo-EM structures of SLC26A2.
Nat Commun, 15, 2024
1J7W
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BU of 1j7w by Molmil
Crystal structure of deoxy HbbetaYQ, a site directed mutant of HbA
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, hemoglobin
Authors:Miele, A.E, Draghi, F, Arcovito, A, Bellelli, A, Brunori, M, Travaglini-Allocatelli, C, Vallone, B.
Deposit date:2001-05-19
Release date:2002-02-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Control of heme reactivity by diffusion: structural basis and functional characterization in hemoglobin mutants.
Biochemistry, 40, 2001
4BNG
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BU of 4bng by Molmil
Crystal structure of S. aureus FabI in complex with NADP and 5-pentyl- 2-phenoxyphenol
Descriptor: 5-PENTYL-2-PHENOXYPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ...
Authors:Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C.
Deposit date:2013-05-15
Release date:2013-06-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
1IVY
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BU of 1ivy by Molmil
PHYSIOLOGICAL DIMER HPP PRECURSOR
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rudenko, G, Bonten, E, D'Azzo, A, Hol, W.G.J.
Deposit date:1996-06-12
Release date:1997-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Three-dimensional structure of the human 'protective protein': structure of the precursor form suggests a complex activation mechanism.
Structure, 3, 1995
8TG5
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BU of 8tg5 by Molmil
tRNA 2'-phosphotransferase (Tpt1) from Pyrococcus horikoshii in complex with branched 2'-PO4 RNA
Descriptor: (2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-{[(S)-{[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-({[(S)-{[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl dihydrogen phosphate (non-preferred name), CHLORIDE ION, POTASSIUM ION, ...
Authors:Jacewicz, A, Dantuluri, S, Shuman, S.
Deposit date:2023-07-12
Release date:2024-06-05
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for Tpt1-catalyzed 2'-PO 4 transfer from RNA and NADP(H) to NAD.
Proc.Natl.Acad.Sci.USA, 120, 2023

223790

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