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2PED
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BU of 2ped by Molmil
Crystallographic model of 9-cis-rhodopsin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEPTANE-1,2,3-TRIOL, MERCURY (II) ION, ...
Authors:Nakamichi, H, Okada, T.
Deposit date:2007-04-02
Release date:2007-10-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Photoisomerization mechanism of rhodopsin and 9-cis-rhodopsin revealed by x-ray crystallography
Biophys.J., 92, 2007
3BOK
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BU of 3bok by Molmil
Structure of the C. botulinum neurotoxin serotype A apo-enzyme
Descriptor: Neurotoxin A
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2007-12-17
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
7YGK
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BU of 7ygk by Molmil
Crystal structure of a secretory phospholipase A2 from Sciscionella marina
Descriptor: phospholipase A2
Authors:Kang, B.G, Cha, S.S.
Deposit date:2022-07-11
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structural and functional characterization of a thermostable secretory phospholipase A 2 from Sciscionella marina and its application in liposome biotransformation.
Acta Crystallogr D Struct Biol, 79, 2023
7Y4A
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BU of 7y4a by Molmil
Crystal structure of human ELMO1 RBD-RhoG complex
Descriptor: Engulfment and cell motility protein 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tsuda, K, Kukimoto-Niino, M, Shirouzu, M.
Deposit date:2022-06-14
Release date:2023-03-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Targeting Ras-binding domain of ELMO1 by computational nanobody design.
Commun Biol, 6, 2023
3KKV
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BU of 3kkv by Molmil
Structure of PKA with a protein Kinase B-selective inhibitor.
Descriptor: (2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine, PKI kinase inhibitor, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Elkins, P.A, Concha, N.O.
Deposit date:2009-11-06
Release date:2010-12-22
Last modified:2014-12-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of PKA with a protein Kinase B-selective inhibitor.
To be Published
7XT2
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BU of 7xt2 by Molmil
Crystal structure of TRIM72
Descriptor: Tripartite motif-containing protein 72, ZINC ION
Authors:Zhou, C, Ma, Y.M, Ding, L.
Deposit date:2022-05-15
Release date:2023-03-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for TRIM72 oligomerization during membrane damage repair.
Nat Commun, 14, 2023
3KIN
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BU of 3kin by Molmil
KINESIN (DIMERIC) FROM RATTUS NORVEGICUS
Descriptor: ADENOSINE-5'-DIPHOSPHATE, KINESIN HEAVY CHAIN
Authors:Kozielski, F, Sack, S, Marx, A, Thormahlen, M, Schonbrunn, E, Biou, V, Thompson, A, Mandelkow, E.-M, Mandelkow, E.
Deposit date:1997-08-25
Release date:1998-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The crystal structure of dimeric kinesin and implications for microtubule-dependent motility.
Cell(Cambridge,Mass.), 91, 1997
3BWJ
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BU of 3bwj by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034
Descriptor: (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(6-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide, cAMP-dependent protein kinase, alpha-catalytic subunit
Authors:Lavogina, D, Koenig, N, Uri, A, Bossemeyer, D.
Deposit date:2008-01-09
Release date:2009-02-03
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of ARC-type inhibitor (ARC-1034) binding to protein kinase A catalytic subunit and rational design of bisubstrate analogue inhibitors of basophilic protein kinases.
J.Med.Chem., 52, 2009
3KEI
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BU of 3kei by Molmil
Crystal Structure of the GluA4 Ligand-Binding domain L651V mutant in complex with glutamate
Descriptor: GLUTAMIC ACID, Glutamate receptor 4
Authors:Gill, A, Madden, D.R.
Deposit date:2009-10-26
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enhanced efficacy without further cleft closure: reevaluating twist as a source of agonist efficacy in AMPA receptors.
J.Neurosci., 30, 2010
3C9L
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BU of 3c9l by Molmil
Structure of ground-state bovine rhodospin in a hexagonal crystal form
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, ACETYL GROUP, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, ...
Authors:Stenkamp, R.E.
Deposit date:2008-02-16
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.646 Å)
Cite:Alternative models for two crystal structures of bovine rhodopsin.
Acta Crystallogr.,Sect.D, 64, 2008
3C9W
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BU of 3c9w by Molmil
Crystal Structure of ERK-2 with hypothemycin covalently bound
Descriptor: (1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione, Mitogen-activated protein kinase 1
Authors:Rosenfeld, R.J.
Deposit date:2008-02-18
Release date:2008-07-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular modeling and crystal structure of ERK2-hypothemycin complexes
J.Struct.Biol., 164, 2008
7XS0
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BU of 7xs0 by Molmil
Trimer structure of HtrA from Helicobacter pylori bound with a tripeptide
Descriptor: Periplasmic serine endoprotease DegP-like, UNK-UNK-UNK
Authors:Cui, L, Liu, W.
Deposit date:2022-05-12
Release date:2023-05-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structures and solution conformations of HtrA from Helicobacter pylori reveal pH-dependent oligomeric conversion and conformational rearrangements.
Int.J.Biol.Macromol., 243, 2023
7XS2
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BU of 7xs2 by Molmil
Monomer structure of HtrA from Helicobacter pylori
Descriptor: Periplasmic serine endoprotease DegP-like
Authors:Cui, L, Liu, W.
Deposit date:2022-05-12
Release date:2023-05-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures and solution conformations of HtrA from Helicobacter pylori reveal pH-dependent oligomeric conversion and conformational rearrangements.
Int.J.Biol.Macromol., 243, 2023
3BK9
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BU of 3bk9 by Molmil
H55A mutant of tryptophan 2,3-dioxygenase from Xanthomonas campestris
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, TRYPTOPHAN, Tryptophan 2,3-dioxygenase
Authors:Bruckmann, C, Mowat, C.G.
Deposit date:2007-12-06
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Histidine 55 of tryptophan 2,3-dioxygenase is not an active site base but regulates catalysis by controlling substrate binding
Biochemistry, 47, 2008
7XYK
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BU of 7xyk by Molmil
Structure of WSSV thymidylate synthase in complex with dUMP and raltitrexed
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, SULFATE ION, TOMUDEX, ...
Authors:Ma, Q, Liu, C, Zang, K.
Deposit date:2022-06-01
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.433 Å)
Cite:Structure of WSSV thymidylate synthase in complex with dUMP and raltitrexed
To Be Published
7XYJ
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BU of 7xyj by Molmil
Structure of WSSV thymidylate synthase in complex with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENTAETHYLENE GLYCOL, ...
Authors:Ma, Q, Liu, C, Zang, K.
Deposit date:2022-06-01
Release date:2023-06-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.275 Å)
Cite:Structure of WSSV thymidylate synthase in complex with dUMP
To Be Published
3BON
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BU of 3bon by Molmil
Structure of the C. botulinum neurotoxin serotype A with Zn2+ cofactor bound
Descriptor: Neurotoxin A, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2007-12-17
Release date:2008-05-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
3BT2
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BU of 3bt2 by Molmil
Structure of urokinase receptor, urokinase and vitronectin complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, ...
Authors:Huang, M.
Deposit date:2007-12-27
Release date:2008-03-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of two human vitronectin, urokinase and urokinase receptor complexes
Nat.Struct.Mol.Biol., 15, 2008
3BWK
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BU of 3bwk by Molmil
Crystal Structure of Falcipain-3 with Its inhibitor, K11017
Descriptor: Cysteine protease falcipain-3, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide, SULFATE ION
Authors:Kerr, I, Lee, J.H, Brinen, L.S.
Deposit date:2008-01-09
Release date:2009-01-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
3KYG
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BU of 3kyg by Molmil
Crystal structure of VCA0042 (L135R) complexed with c-di-GMP
Descriptor: GUANOSINE-5'-MONOPHOSPHATE, Putative uncharacterized protein VCA0042
Authors:Ryu, K.S, Ko, J, Kim, H, Choi, B.S.
Deposit date:2009-12-06
Release date:2010-04-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of PP4397 Reveals the Molecular Basis for Different c-di-GMP Binding Modes by Pilz Domain Proteins.
J.Mol.Biol., 398, 2010
3C9M
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BU of 3c9m by Molmil
Structure of a mutant bovine rhodopsin in hexagonal crystal form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL GROUP, RETINAL, ...
Authors:Stenkamp, R.E.
Deposit date:2008-02-16
Release date:2008-08-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Alternative models for two crystal structures of bovine rhodopsin.
Acta Crystallogr.,Sect.D, 64, 2008
3BOO
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BU of 3boo by Molmil
Structure of the C. botulinum neurotoxin serotype A with an inhibitory peptide bound
Descriptor: N-Ac-CRATKML inhibitory peptide, Neurotoxin A, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2007-12-17
Release date:2008-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
3C43
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BU of 3c43 by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor
Descriptor: (2S,3S)-4-cyclopropyl-3-{(3R,5R)-3-[2-fluoro-4-(methylsulfonyl)phenyl]-1,2,4-oxadiazolidin-5-yl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Scapin, G, Edmondson, S.D, Weber, A.E.
Deposit date:2008-01-29
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
3BKI
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BU of 3bki by Molmil
Crystal Structure of the GluR2 ligand binding core (S1S2J) in complex with FQX at 1.87 Angstroms
Descriptor: Glutamate receptor 2, [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide
Authors:Cruz, L, Estebanez-Perpina, E, Pfaff, S, Borngraeber, S, Bao, N, Fletterick, R, England, P.
Deposit date:2007-12-06
Release date:2008-09-16
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione (ANQX) forms an irreversible bond to the active site of the GluR2 AMPA receptor.
J.Med.Chem., 51, 2008
7YEC
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BU of 7yec by Molmil
TR-SFX MmCPDII-DNA complex: 6 ns snapshot. Includes 6 ns, dark, and extrapolated structure factors
Descriptor: CPD photolesion containing DNA, Deoxyribodipyrimidine photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Maestre-Reyna, M, Wang, P.-H, Nango, E, Hosokawa, Y, Saft, M, Furrer, A, Yang, C.-H, Ngura Putu, E.P.G, Wu, W.-J, Emmerich, H.-J, Engilberge, S, Caramello, N, Wranik, M, Glover, H.L, Franz-Badur, S, Wu, H.-Y, Lee, C.-C, Huang, W.-C, Huang, K.-F, Chang, Y.-K, Liao, J.-H, Weng, J.-H, Gad, W, Chang, C.-W, Pang, A.H, Gashi, D, Beale, E, Ozerov, D, Milne, C, Cirelli, C, Bacellar, C, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Spadaccini, R, Royant, A, Yamamoto, J, Iwata, S, Standfuss, J, Essen, L.-O, Bessho, Y, Tsai, M.-D.
Deposit date:2022-07-05
Release date:2023-11-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Visualizing the DNA repair process by a photolyase at atomic resolution.
Science, 382, 2023

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数据于2024-10-02公开中

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