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4BQD
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BU of 4bqd by Molmil
KD1 of human TFPI in complex with a synthetic peptide
分子名称: GLYCEROL, PEPTIDE, TISSUE FACTOR PATHWAY INHIBITOR (LIPOPROTEIN-ASSOCIATED COAGULATION INHIBITOR) VARIANT
著者Griessner, A, Brandstetter, H.
登録日2013-05-30
公開日2013-12-04
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Small Peptides Blocking Inhibition of Factor Xa and Tissue Factor-Factor Viia by Tissue Factor Pathway Inhibitor (Tfpi)
J.Biol.Chem., 289, 2014
6GN5
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BU of 6gn5 by Molmil
CRYSTAL STRUCTURE OF HUMAN GRAMD1C START DOMAIN
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GRAM domain-containing protein 1C
著者Friese, A, Vetter, I.R.
登録日2018-05-30
公開日2019-06-19
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献The cholesterol transfer protein GRAMD1A regulates autophagosome biogenesis.
Nat.Chem.Biol., 15, 2019
1GL4
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BU of 1gl4 by Molmil
Nidogen-1 G2/Perlecan IG3 Complex
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BASEMENT MEMBRANE-SPECIFIC HEPARAN SULFATE PROTEOGLYCAN CORE PROTEIN, NIDOGEN-1, ...
著者Kvansakul, M, Hopf, M, Ries, A, Timpl, R, Hohenester, E.
登録日2001-08-23
公開日2001-11-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the High-Affinity Interaction of Nidogen-1 with Immunoglobulin-Like Domain 3 of Perlecan
Embo J., 20, 2001
1LI1
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BU of 1li1 by Molmil
The 1.9-A crystal structure of the noncollagenous (NC1) domain of human placenta collagen IV shows stabilization via a novel type of covalent Met-Lys cross-link
分子名称: ACETATE ION, Collagen alpha 1(IV), Collagen alpha 2(IV)
著者Than, M.E, Henrich, S, Huber, R, Ries, A, Mann, K, Kuhn, K, Timpl, R, Bourenkov, G.P, Bartunik, H.D, Bode, W.
登録日2002-04-17
公開日2002-05-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The 1.9-A crystal structure of the noncollagenous (NC1) domain of human placenta collagen IV shows stabilization via a novel type of covalent Met-Lys cross-link.
Proc.Natl.Acad.Sci.USA, 99, 2002
1H4U
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BU of 1h4u by Molmil
Domain G2 of mouse nidogen-1
分子名称: NIDOGEN-1
著者Hopf, M, Gohring, W, Ries, A, Timpl, R, Hohenester, E.
登録日2001-05-14
公開日2001-06-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure and Mutational Analysis of a Perlecan-Binding Fragment of Nidogen-1
Nat.Struct.Biol., 8, 2001
1C1Z
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BU of 1c1z by Molmil
CRYSTAL STRUCTURE OF HUMAN BETA-2-GLYCOPROTEIN-I (APOLIPOPROTEIN-H)
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA2-GLYCOPROTEIN-I, ...
著者Schwarzenbacher, R, Zeth, K, Diederichs, K, Gries, A, Kostner, G.M, Laggner, P, Prassl, R.
登録日1999-07-22
公開日1999-11-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Crystal structure of human beta2-glycoprotein I: implications for phospholipid binding and the antiphospholipid syndrome.
EMBO J., 18, 1999
6HGY
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BU of 6hgy by Molmil
CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C
分子名称: Cathepsin K, THALASSOSPIRAMIDE C
著者Zakarian, A, Buckman, B.O, Adler, M, Griessner, A, Blaesse, M.
登録日2018-08-23
公開日2019-06-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action.
Org.Lett., 21, 2019
1G4I
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BU of 1g4i by Molmil
Crystal structure of the bovine pancreatic phospholipase A2 at 0.97A
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
著者Steiner, R.A, Rozeboom, H.J, de Vries, A, Kalk, K.H, Murshudov, G.N, Wilson, K.S, Dijkstra, B.W.
登録日2000-10-27
公開日2001-04-04
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献X-ray structure of bovine pancreatic phospholipase A2 at atomic resolution.
Acta Crystallogr.,Sect.D, 57, 2001
8GII
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BU of 8gii by Molmil
TEM-1 Beta Lactamase Variant 80.a
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TEM-1 Variant 80.a
著者Fram, B.F, Gauthier, N.P, Khan, A.R, Sander, C.
登録日2023-03-14
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Simultaneous enhancement of multiple functional properties using evolution-informed protein design
To Be Published
6MQ3
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BU of 6mq3 by Molmil
Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Substrate-selective Macrocycle Inhibitor 63
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Insulin-degrading enzyme, {(8R,9S,10S)-9-(2',3'-dimethyl[1,1'-biphenyl]-4-yl)-6-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-1,6-diazabicyclo[6.2.0]decan-10-yl}methanol
著者Tan, G.A, Seeliger, M.A, Welsh, A.J, Maianti, J.P, Liu, D.R.
登録日2018-10-09
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.569147 Å)
主引用文献Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme.
Nat.Chem.Biol., 15, 2019
7SAG
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BU of 7sag by Molmil
Solution NMR structure of barrettide C
分子名称: Barrettide C
著者Payne, C.D, Rosengren, K.J.
登録日2021-09-22
公開日2022-01-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Barrettides: A Peptide Family Specifically Produced by the Deep-Sea Sponge Geodia barretti .
J.Nat.Prod., 84, 2021
6TPF
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BU of 6tpf by Molmil
Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity
分子名称: (1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide, Tyrosine-protein kinase JAK1
著者Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Griessner, A, Ritzen, A.
登録日2019-12-13
公開日2020-06-10
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity.
J.Med.Chem., 63, 2020
1OXS
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BU of 1oxs by Molmil
Crystal structure of GlcV, the ABC-ATPase of the glucose ABC transporter from Sulfolobus solfataricus
分子名称: ABC transporter, ATP binding protein, IODIDE ION
著者Verdon, G, Albers, S.V, Dijkstra, B.W, Driessen, A.J, Thunnissen, A.M.
登録日2003-04-03
公開日2003-06-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of the ATPase subunit of the glucose ABC transporter from Sulfolobus solfataricus: nucleotide-free and nucleotide-bound conformations
J.Mol.Biol., 330, 2003
6EDS
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BU of 6eds by Molmil
Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Glucagon and Substrate-selective Macrocyclic Inhibitor 63
分子名称: 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Tan, G.A, Seeliger, M.A, Maianti, J.P, Liu, D.R, Welsh, A.J.
登録日2018-08-10
公開日2019-04-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.18071723 Å)
主引用文献Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme.
Nat.Chem.Biol., 15, 2019
6S41
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BU of 6s41 by Molmil
CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455
分子名称: 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2
著者Focken, T, Maskos, K, Griessner, A, Krapp, S.
登録日2019-06-26
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy.
J.Med.Chem., 62, 2019
4LTE
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BU of 4lte by Molmil
Structure of Cysteine-free Human Insulin Degrading Enzyme in Complex with Macrocyclic Inhibitor
分子名称: 2,6-DIAMINO-HEXANOIC ACID AMIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FUMARIC ACID, ...
著者Foda, Z.H, Seeliger, M.A, Saghatelian, A, Liu, D.R.
登録日2013-07-23
公開日2014-05-21
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Anti-diabetic activity of insulin-degrading enzyme inhibitors mediated by multiple hormones.
Nature, 511, 2014
4IIQ
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BU of 4iiq by Molmil
Crystal structure of a human MAIT TCR in complex with bovine MR1
分子名称: Beta-2-microglobulin, MHC class I-related protein, Human Mucosal Associated Invariant T cell receptor alpha chain, ...
著者Lopez-Sagaseta, J, Adams, E.J.
登録日2012-12-20
公開日2013-04-24
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献The molecular basis for Mucosal-Associated Invariant T cell recognition of MR1 proteins.
Proc.Natl.Acad.Sci.USA, 110, 2013
4L8S
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BU of 4l8s by Molmil
Crystal structure of a human Valpha7.2/Vbeta13.3 MAIT TCR in complex with bovine MR1
分子名称: Beta-2-microglobulin, MHC class I-related protein, Muccosal Associated Invariant T Cell Receptor alpha chain, ...
著者Lopez-Sagaseta, J, Adams, E.J.
登録日2013-06-17
公開日2013-10-16
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献MAIT Recognition of a Stimulatory Bacterial Antigen Bound to MR1.
J.Immunol., 191, 2013
4L9L
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BU of 4l9l by Molmil
Crystal structure of a human Valpha7.2/Vbeta13.2 MAIT TCR in complex with bovine MR1
分子名称: Beta-2-microglobulin, MHC class I-related protein, Human MAIT TCR alpha chain, ...
著者Lopez-Sagaseta, J, Adams, E.J.
登録日2013-06-18
公開日2013-10-16
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献MAIT Recognition of a Stimulatory Bacterial Antigen Bound to MR1.
J.Immunol., 191, 2013
4LA7
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BU of 4la7 by Molmil
X-ray crystal structure of the PYL2-quinabactin-Hab1 ternary complex
分子名称: ACETATE ION, Abscisic acid receptor PYL2, GLYCEROL, ...
著者Peterson, F.C, Volkman, B.F, Cutler, S.R.
登録日2013-06-19
公開日2013-08-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Activation of dimeric ABA receptors elicits guard cell closure, ABA-regulated gene expression, and drought tolerance.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LCC
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BU of 4lcc by Molmil
Crystal structure of a human MAIT TCR in complex with a bacterial antigen bound to humanized bovine MR1
分子名称: 1-deoxy-1-[6-(hydroxymethyl)-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-arabinitol, Beta-2-microglobulin, MHC class I-related protein, ...
著者Lopez-Sagaseta, J, Adams, E.J.
登録日2013-06-21
公開日2013-10-16
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (3.263 Å)
主引用文献MAIT Recognition of a Stimulatory Bacterial Antigen Bound to MR1.
J.Immunol., 191, 2013
6Y9S
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BU of 6y9s by Molmil
Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16
分子名称: ACETATE ION, Glycogen synthase kinase-3 beta, ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide
著者Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R.
登録日2020-03-10
公開日2020-05-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
6Y9R
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BU of 6y9r by Molmil
Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2
分子名称: ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ...
著者Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R.
登録日2020-03-10
公開日2020-05-20
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
6V06
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BU of 6v06 by Molmil
Crystal structure of Beta-2 glycoprotein I purified from plasma (pB2GPI)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-glycoprotein 1, ...
著者Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N.
登録日2019-11-18
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome.
J.Biol.Chem., 295, 2020
6V09
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BU of 6v09 by Molmil
Crystal structure of human recombinant Beta-2 glycoprotein I short tag (ST-B2GPI)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1, SULFATE ION, ...
著者Chen, Z, Ruben, E.A, Planer, W, Chinnaraj, M, Zuo, X, Pengo, V, Macor, P, Tedesco, F, Pozzi, N.
登録日2019-11-18
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The J-elongated conformation of beta2-glycoprotein I predominates in solution: implications for our understanding of antiphospholipid syndrome.
J.Biol.Chem., 295, 2020

 

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