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5KZY
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BU of 5kzy by Molmil
Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with cyclopamine
Descriptor: Cyclopamine, Smoothened
Authors:Huang, P, Kim, Y, Salic, A.
Deposit date:2016-07-25
Release date:2016-08-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.484 Å)
Cite:Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
5KZZ
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BU of 5kzz by Molmil
Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in its apo-form
Descriptor: ACETATE ION, GLYCEROL, Smoothened, ...
Authors:Huang, P, Kim, Y, Salic, A.
Deposit date:2016-07-25
Release date:2016-08-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.332 Å)
Cite:Cellular Cholesterol Directly Activates Smoothened in Hedgehog Signaling.
Cell, 166, 2016
1VEC
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BU of 1vec by Molmil
Crystal structure of the N-terminal domain of rck/p54, a human DEAD-box protein
Descriptor: ATP-dependent RNA helicase p54, L(+)-TARTARIC ACID, ZINC ION
Authors:Hogetsu, K, Matsui, T, Yukihiro, Y, Tanaka, M, Sato, T, Kumasaka, T, Tanaka, N.
Deposit date:2004-03-29
Release date:2004-04-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural insight of human DEAD-box protein rck/p54 into its substrate recognition with conformational changes
Genes Cells, 11, 2006
1DF0
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BU of 1df0 by Molmil
Crystal structure of M-Calpain
Descriptor: CALPAIN, M-CALPAIN
Authors:Hosfield, C.M, Elce, J.S, Davies, P.L, Jia, Z.
Deposit date:1999-11-16
Release date:2000-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of calpain reveals the structural basis for Ca(2+)-dependent protease activity and a novel mode of enzyme activation.
EMBO J., 18, 1999
6E7D
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BU of 6e7d by Molmil
Structure of the inhibitory NKR-P1B receptor bound to the host-encoded ligand, Clr-b
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C-type lectin domain family 2 member D, Killer cell lectin-like receptor subfamily B member 1B allele B, ...
Authors:Balaji, G.R, Rossjohn, J, Berry, R.
Deposit date:2018-07-26
Release date:2018-10-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Recognition of host Clr-b by the inhibitory NKR-P1B receptor provides a basis for missing-self recognition.
Nat Commun, 9, 2018
8CR0
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BU of 8cr0 by Molmil
Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor
Descriptor: 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Alterio, V, De Simone, G, Esposito, D.
Deposit date:2023-03-07
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography.
J.Med.Chem., 66, 2023
2JS9
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BU of 2js9 by Molmil
Structure of caenopore-5 (81 Pro cis conformer)
Descriptor: Saposin-like protein family protein 5
Authors:Mysliwy, J, Grotzinger, J.
Deposit date:2007-07-02
Release date:2008-10-14
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Caenopore-5: the three-dimensional structure of an antimicrobial protein from Caenorhabditis elegans.
Dev.Comp.Immunol., 34, 2010
2DT9
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BU of 2dt9 by Molmil
Crystal structure of the regulatory subunit of aspartate kinase from Thermus flavus
Descriptor: ACETATE ION, Aspartokinase, THREONINE
Authors:Yoshida, A, Tomita, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
Deposit date:2006-07-11
Release date:2007-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures of the regulatory subunit of Thr-sensitive aspartate kinase from Thermus thermophilus
Febs J., 276, 2009
5ZG3
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BU of 5zg3 by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and TAK-137
Descriptor: 9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ...
Authors:Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
1NTD
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BU of 1ntd by Molmil
STRUCTURE OF ALCALIGENES FAECALIS NITRITE REDUCTASE MUTANT M150E THAT CONTAINS ZINC
Descriptor: COPPER (II) ION, NITRITE REDUCTASE
Authors:Murphy, M.E.P, Adman, E.T, Turley, S.
Deposit date:1995-07-03
Release date:1996-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Alcaligenes faecalis nitrite reductase and a copper site mutant, M150E, that contains zinc.
Biochemistry, 34, 1995
6T7F
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BU of 6t7f by Molmil
RCR E3 ligase E2-Ubiquitin transthiolation intermediate
Descriptor: 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide, E3 ubiquitin-protein ligase MYCBP2, Polyubiquitin-C, ...
Authors:Mabbitt, P.D, Virdee, S.
Deposit date:2019-10-21
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural basis for RING-Cys-Relay E3 ligase activity and its role in axon integrity.
Nat.Chem.Biol., 16, 2020
4ISF
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BU of 4isf by Molmil
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide
Descriptor: (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Hosfield, D, Skene, R.J.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
5ZG1
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BU of 5zg1 by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and Compound-2
Descriptor: 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, GLUTAMIC ACID, GLYCEROL, ...
Authors:Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
4ISE
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BU of 4ise by Molmil
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide
Descriptor: (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Hosfield, D, Skene, R.J.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
5ZG2
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BU of 5zg2 by Molmil
Crystal structure of the GluA2o LBD in complex with ZK200775 and Compound-2
Descriptor: 9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, ACETATE ION, GLYCEROL, ...
Authors:Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
2JSA
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BU of 2jsa by Molmil
Solution structure of Caenopore-5 (81 Pro Trans confomer)
Descriptor: Saposin-like protein family protein 5
Authors:Mysliwy, J, Grotzinger, J.
Deposit date:2007-07-02
Release date:2008-10-14
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Caenopore-5: the three-dimensional structure of an antimicrobial protein from Caenorhabditis elegans.
Dev.Comp.Immunol., 34, 2010
5ZG0
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BU of 5zg0 by Molmil
Crystal structure of the GluA2o LBD in complex with glutamate and Compound-1
Descriptor: 9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione, ACETATE ION, GLUTAMIC ACID, ...
Authors:Sogabe, S, Igaki, S, Hirokawa, A, Zama, Y, Lane, W, Snell, G.
Deposit date:2018-03-07
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Neuropsychopharmacology, 44, 2019
4ISG
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BU of 4isg by Molmil
Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
Descriptor: (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ...
Authors:Hosfield, D, Skene, R.J.
Deposit date:2013-01-16
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.645 Å)
Cite:Design, synthesis and SAR of novel glucokinase activators.
Bioorg.Med.Chem.Lett., 23, 2013
5BUP
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BU of 5bup by Molmil
Crystal structure of the ZP-C domain of mouse ZP2
Descriptor: ACETATE ION, Zona pellucida sperm-binding protein 2
Authors:Nishimura, K, Jovine, L.
Deposit date:2015-06-04
Release date:2016-01-27
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:A structured interdomain linker directs self-polymerization of human uromodulin.
Proc.Natl.Acad.Sci.USA, 113, 2016
2FB4
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BU of 2fb4 by Molmil
DIR PRIMAERSTRUKTUR DES KRISTALLISIERBAREN MONOKLONALEN IMMUNOGLOBULINS IGG1 KOL. II. AMINOSAEURESEQUENZ DER L-KETTE, LAMBDA-TYP, SUBGRUPPE I (GERMAN)
Descriptor: IGG1-LAMBDA KOL FAB (HEAVY CHAIN), IGG1-LAMBDA KOL FAB (LIGHT CHAIN)
Authors:Marquart, M, Huber, R.
Deposit date:1989-04-18
Release date:1989-07-12
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The primary structure of crystallizable monoclonal immunoglobulin IgG1 Kol. II. Amino acid sequence of the L-chain, gamma-type, subgroup I
Biol.Chem.Hoppe-Seyler, 370, 1989
5X7Y
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BU of 5x7y by Molmil
Crystal Structure of the Dog Lipocalin Allergen Can f 6
Descriptor: DI(HYDROXYETHYL)ETHER, Lipocalin-Can f 6 allergen
Authors:Yamamoto, K, Otani, T, Sugiura, K, Nakatsuji, M, Nishimura, S, Inui, T.
Deposit date:2017-02-28
Release date:2018-04-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the dog allergen Can f 6 and structure-based implications of its cross-reactivity with the cat allergen Fel d 4.
Sci Rep, 9, 2019
6M31
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BU of 6m31 by Molmil
Structural and Functional Insights into an Archaeal Lipid Synthase
Descriptor: Digeranylgeranylglyceryl phosphate synthase, LAURYL DIMETHYLAMINE-N-OXIDE, MAGNESIUM ION, ...
Authors:Ren, S, Cheng, W.
Deposit date:2020-03-02
Release date:2021-02-03
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Functional Insights into an Archaeal Lipid Synthase
Cell Rep, 33, 2020
6MD4
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BU of 6md4 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Rosiglitazone and Oleic acid
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), OLEIC ACID, ...
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MD1
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BU of 6md1 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Oleic acid
Descriptor: 2-chloro-5-nitro-N-phenylbenzamide, OLEIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018
6MCZ
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BU of 6mcz by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Arachidonic Acid
Descriptor: ARACHIDONIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2018-09-03
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPAR gamma.
Elife, 7, 2018

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