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7ZOO
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BU of 7zoo by Molmil
Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with gentiobiose
Descriptor: Glycoside hydrolase family 18, beta-D-glucopyranose
Authors:Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J.
Deposit date:2022-04-26
Release date:2023-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
7ZON
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BU of 7zon by Molmil
Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with glucose
Descriptor: Glycoside hydrolase family 18, PENTAETHYLENE GLYCOL, beta-D-glucopyranose
Authors:Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J.
Deposit date:2022-04-26
Release date:2023-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
7ZOH
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BU of 7zoh by Molmil
Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588
Descriptor: Glycoside hydrolase family 18
Authors:Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J.
Deposit date:2022-04-25
Release date:2023-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
7ZOP
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BU of 7zop by Molmil
Carbohydrate binding domain CBM92-B from a multi-catalytic glucanase-chitinase from Chitinophaga pinensis DSM 2588 in complex with sophorose.
Descriptor: Glycoside hydrolase family 18, beta-D-glucopyranose
Authors:Mazurkewich, S, McKee, L.S, Lu, Z, Branden, G, Larsbrink, J.
Deposit date:2022-04-26
Release date:2023-05-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural and biochemical analysis of family 92 carbohydrate-binding modules uncovers multivalent binding to beta-glucans.
Nat Commun, 15, 2024
5F84
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BU of 5f84 by Molmil
Crystal structure of Drosophila Poglut1 (Rumi) complexed with its glycoprotein product (glucosylated EGF repeat) and UDP
Descriptor: Coagulation factor IX, O-glucosyltransferase rumi, SULFATE ION, ...
Authors:Yu, H.J, Li, H.L.
Deposit date:2015-12-09
Release date:2016-07-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural analysis of Notch-regulating Rumi reveals basis for pathogenic mutations.
Nat. Chem. Biol., 12, 2016
5F85
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BU of 5f85 by Molmil
Crystal structure of Drosophila Poglut1 (Rumi) complexed with its substrate protein (EGF repeat) and UDP
Descriptor: Coagulation factor IX, GLYCEROL, O-glucosyltransferase rumi, ...
Authors:Yu, H.J, Li, H.L.
Deposit date:2015-12-09
Release date:2016-07-20
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural analysis of Notch-regulating Rumi reveals basis for pathogenic mutations.
Nat. Chem. Biol., 12, 2016
4YFI
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BU of 4yfi by Molmil
TNNI3K complexed with inhibitor 1
Descriptor: N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K
Authors:Shewchuk, L.M, Wang, L, Lawhorn, B.G.
Deposit date:2015-02-25
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).
J.Med.Chem., 58, 2015
5F86
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BU of 5f86 by Molmil
Crystal structure of Drosophila Poglut1 (Rumi) complexed with its substrate protein (EGF repeat)
Descriptor: Coagulation factor IX, GLYCEROL, O-glucosyltransferase rumi, ...
Authors:Yu, H.J, Li, H.L.
Deposit date:2015-12-09
Release date:2016-07-20
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of Notch-regulating Rumi reveals basis for pathogenic mutations.
Nat. Chem. Biol., 12, 2016
4YFF
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BU of 4yff by Molmil
TNNI3K complexed with inhibitor 2
Descriptor: 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide, Serine/threonine-protein kinase TNNI3K
Authors:Shewchuk, L.M, Wang, L, Lawhorn, B.G.
Deposit date:2015-02-25
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Identification of Purines and 7-Deazapurines as Potent and Selective Type I Inhibitors of Troponin I-Interacting Kinase (TNNI3K).
J.Med.Chem., 58, 2015
2Q8Y
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BU of 2q8y by Molmil
Structural insight into the enzymatic mechanism of the phophothreonine lyase
Descriptor: 27.5 kDa virulence protein, Mitogen-activated protein kinase 7
Authors:Zhu, Y.-Q, Wang, D.-C, Shao, F.
Deposit date:2007-06-12
Release date:2007-12-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the enzymatic mechanism of the pathogenic MAPK phosphothreonine lyase
Mol.Cell, 28, 2007
1BO9
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BU of 1bo9 by Molmil
NMR SOLUTION STRUCTURE OF DOMAIN 1 OF HUMAN ANNEXIN I
Descriptor: PROTEIN (ANNEXIN I)
Authors:Gao, J, Yan Li, H.
Deposit date:1998-08-10
Release date:1998-08-19
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR solution structure of domain 1 of human annexin I shows an autonomous folding unit.
J.Biol.Chem., 274, 1999
1N45
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BU of 1n45 by Molmil
X-RAY CRYSTAL STRUCTURE OF HUMAN HEME OXYGENASE-1 (HO-1) IN COMPLEX WITH ITS SUBSTRATE HEME
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, heme oxygenase 1
Authors:Schuller, D.J, Wilks, A, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2002-10-30
Release date:2002-11-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1.
J. Biol. Chem., 278, 2003
1MLU
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BU of 1mlu by Molmil
NITRIC OXIDE RECOMBINATION TO DOUBLE MUTANTS OF MYOGLOBIN: THE ROLE OF LIGAND DIFFUSION IN A FLUCTUATING HEME POCKET
Descriptor: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Quillin, M.L, Phillips Jr, G.N.
Deposit date:1994-06-15
Release date:1994-08-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nitric oxide recombination to double mutants of myoglobin: role of ligand diffusion in a fluctuating heme pocket.
Biochemistry, 33, 1994
4R0X
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BU of 4r0x by Molmil
Allosteric coupling of conformational transitions in the FK1 domain of FKBP51 near the site of steroid receptor interaction
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:LeMaster, D.M, Mustafi, S.M, Brecher, M, Zhang, J, Heroux, A, Li, H.M, Hernandez, G.
Deposit date:2014-08-02
Release date:2015-05-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Coupling of Conformational Transitions in the N-terminal Domain of the 51-kDa FK506-binding Protein (FKBP51) Near Its Site of Interaction with the Steroid Receptor Proteins.
J.Biol.Chem., 290, 2015
7MSQ
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BU of 7msq by Molmil
Complex between the Fab arm of AB-3467 and the SARS-CoV-2 receptor binding domain (RBD)
Descriptor: AB-3467 Fab Heavy Chain, AB-3467 Fab Light Chain, CHLORIDE ION, ...
Authors:Langley, D.B, Christ, D.
Deposit date:2021-05-12
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Immunizations with diverse sarbecovirus receptor-binding domains elicit SARS-CoV-2 neutralizing antibodies against a conserved site of vulnerability.
Immunity, 54, 2021
6UL8
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BU of 6ul8 by Molmil
RIP2 kinase catalytic domain complex with (5S,6S,8R)-2-(benzo[d]thiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide
Descriptor: (5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
Authors:Shewchuk, L.M, Convery, M.A.
Deposit date:2019-10-07
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6SZJ
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BU of 6szj by Molmil
RIP2 Kinase Catalytic Domain complex with 5amino1tertbutyl3(3methoxyphenyl)1H pyrazole4carboxamide.
Descriptor: 5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
Authors:Convery, M.A, Charnley, A.K, Shewchuk, L.
Deposit date:2019-10-02
Release date:2019-12-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6SZE
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BU of 6sze by Molmil
RIP2 Kinase Catalytic Domain complex with 5-Amino-1-Phenylpyrazole-4-Carboxamide.
Descriptor: 5-Amino-1-Phenylpyrazole-4-Carboxamide, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2
Authors:Convery, M.A, Charnley, A.K, Shewchuk, L.
Deposit date:2019-10-02
Release date:2019-10-23
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Discovery of Pyrazolocarboxamides as Potent and Selective Receptor Interacting Protein 2 (RIP2) Kinase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
5XN3
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BU of 5xn3 by Molmil
Crystal structure of SPSB2 in complex with a rational designed RGD containing cyclic peptide inhibitor of SPSB2-iNOS interaction
Descriptor: SPRY domain-containing SOCS box protein 2, cR8 peptide from NOS2
Authors:You, T, Kuang, Z.
Deposit date:2017-05-17
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of SPSB2 in complex with a rational designed RGD-containing cyclic peptide inhibitor of SPSB2-iNOS interaction.
Biochem. Biophys. Res. Commun., 489, 2017
3LQR
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BU of 3lqr by Molmil
Structure of CED-4:CED-3 complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell death protein 4, MAGNESIUM ION
Authors:Qi, S, Pang, Y, Shi, Y, Yan, N.
Deposit date:2010-02-09
Release date:2010-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.896 Å)
Cite:Crystal structure of the Caenorhabditis elegans apoptosome reveals an octameric assembly of CED-4.
Cell(Cambridge,Mass.), 141, 2010
4IPX
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BU of 4ipx by Molmil
Analyzing the visible conformational substates of the FK506 binding protein FKBP12
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Chen, H, Mustafi, S.M, Li, H.M, LeMaster, D.M, Hernandez, G.
Deposit date:2013-01-10
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Analysing the visible conformational substates of the FK506-binding protein FKBP12.
Biochem.J., 453, 2013
7LIR
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BU of 7lir by Molmil
Structure of the invertebrate ALK GRD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALK tyrosine kinase receptor homolog scd-2, ...
Authors:Stayrook, S, Li, T, Klein, D.E.
Deposit date:2021-01-27
Release date:2021-11-24
Last modified:2021-12-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
7LS0
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BU of 7ls0 by Molmil
Structure of the Human ALK GRD bound to AUG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALK tyrosine kinase receptor fused with ALK and LTK ligand 2, CITRIC ACID
Authors:Stayrook, S, Li, T, Klein, D.E.
Deposit date:2021-02-17
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
7LRZ
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BU of 7lrz by Molmil
Structure of the Human ALK GRD
Descriptor: ALK tyrosine kinase receptor
Authors:Stayrook, S, Li, T, Klein, D.E.
Deposit date:2021-02-17
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
3LQQ
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BU of 3lqq by Molmil
Structure of the CED-4 Apoptosome
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell death protein 4, MAGNESIUM ION
Authors:Qi, S, Pang, Y, Shi, Y, Yan, N, Liu, Q.
Deposit date:2010-02-09
Release date:2010-04-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.534 Å)
Cite:Crystal structure of the Caenorhabditis elegans apoptosome reveals an octameric assembly of CED-4.
Cell(Cambridge,Mass.), 141, 2010

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PDB entries from 2024-08-07

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