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PDB: 1022 results

4BYJ
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Aurora A kinase bound to a highly selective imidazopyridine inhibitor
Descriptor: (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide, AURORA KINASE A
Authors:Joshi, A, Kosmopoulou, M, Bayliss, R.
Deposit date:2013-07-19
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
4BYI
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Aurora A kinase bound to a highly selective imidazopyridine inhibitor
Descriptor: (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide, AURORA KINASE A
Authors:Joshi, A, Kosmopoulou, M, Bayliss, R.
Deposit date:2013-07-19
Release date:2013-11-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
3WLB
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BU of 3wlb by Molmil
HLA-A24 in complex with HIV-1 Nef126-10(8T10F)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
Authors:Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C.
Deposit date:2013-11-08
Release date:2014-06-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Switching and emergence of CTL epitopes in HIV-1 infection
Retrovirology, 11, 2014
3WL9
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BU of 3wl9 by Molmil
HLA-A24 in complex with HIV-1 Nef126-10(8I10F)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
Authors:Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C.
Deposit date:2013-11-08
Release date:2014-06-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Switching and emergence of CTL epitopes in HIV-1 infection
Retrovirology, 11, 2014
5DBH
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BU of 5dbh by Molmil
Crystal structure of O-acetylserine sulfhydrylase from haemophilus influenzae in complex with reaction intermediate alpha-aminoacrylate
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Cysteine synthase, GLYCEROL
Authors:Kaushik, A, Ekka, M.K, Singh, A.K, Kumaran, S.
Deposit date:2015-08-21
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structure of O-acetylserine sulfhydrylase from haemophilus influenzae in complex with reaction intermediate alpha-aminoacrylate
To Be Published
3ZZZ
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BU of 3zzz by Molmil
Crystal structure of a Raver1 PRI4 peptide in complex with polypyrimidine tract binding protein RRM2
Descriptor: IODIDE ION, POLYPYRIMIDINE TRACT-BINDING PROTEIN 1, RIBONUCLEOPROTEIN PTB-BINDING 1
Authors:Joshi, A, Kotik-Kogan, O, Curry, S.
Deposit date:2011-09-06
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystallographic Analysis of Polypyrimidine Tract-Binding Protein-Raver1 Interactions Involved in Regulation of Alternative Splicing.
Structure, 19, 2011
8H1W
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BU of 8h1w by Molmil
Serine Palmitoyltransferase from Sphingobacterium multivorum
Descriptor: 1,2-ETHANEDIOL, Serine palmitoyltransferase
Authors:Takahashi, A, Murakami, T, Katayama, A, Miyahara, I, Kamiya, N, Ikushiro, H, Yano, T.
Deposit date:2022-10-04
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insights into the substrate recognition of serine palmitoyltransferase from Sphingobacterium multivorum.
J.Biol.Chem., 299, 2023
6JUW
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BU of 6juw by Molmil
BOVINE HEART CYTOCHROME C OXIDASE IN CATALITIC INTERMEDIATES AT 1.80 ANGSTROM RESOLUTION
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, A, Muramoto, K, Shinzawa-Itoh, K, Yoshikawa, S, Tsukihara, T.
Deposit date:2019-04-15
Release date:2020-03-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray structures of catalytic intermediates of cytochromecoxidase provide insights into its O2activation and unidirectional proton-pump mechanisms.
J.Biol.Chem., 295, 2020
3ZPS
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BU of 3zps by Molmil
Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
Descriptor: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[(4R)-5-[[(2S)-3,3-dimethyl-1-oxidanylidene-1-(prop-2-enylamino)butan-2-yl]amino]-4-oxidanyl-5-oxidanylidene-4-(phenylmethyl)pentyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Authors:Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M.
Deposit date:2013-03-01
Release date:2013-11-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors.
J.Med.Chem., 56, 2013
3ZPT
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BU of 3zpt by Molmil
Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
Descriptor: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-11-oxidanyl-7,10-bis(oxidanylidene)-8-propan-2-yl-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Authors:Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M.
Deposit date:2013-03-01
Release date:2013-11-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
3GLY
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BU of 3gly by Molmil
REFINED CRYSTAL STRUCTURES OF GLUCOAMYLASE FROM ASPERGILLUS AWAMORI VAR. X100
Descriptor: GLUCOAMYLASE-471, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-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, ...
Authors:Aleshin, A.E, Hoffman, C, Firsov, L.M, Honzatko, R.B.
Deposit date:1994-06-03
Release date:1994-11-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refined crystal structures of glucoamylase from Aspergillus awamori var. X100.
J.Mol.Biol., 238, 1994
3ZZY
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BU of 3zzy by Molmil
Crystal structure of a Raver1 PRI3 peptide in complex with polypyrimidine tract binding protein RRM2
Descriptor: POLYPYRIMIDINE TRACT-BINDING PROTEIN 1, RIBONUCLEOPROTEIN PTB-BINDING 1
Authors:Joshi, A, Kotik-Kogan, O, Curry, S.
Deposit date:2011-09-06
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystallographic Analysis of Polypyrimidine Tract-Binding Protein-Raver1 Interactions Involved in Regulation of Alternative Splicing.
Structure, 19, 2011
3HDI
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BU of 3hdi by Molmil
Crystal structure of Bacillus halodurans metallo peptidase
Descriptor: COBALT (II) ION, Processing protease, SULFATE ION, ...
Authors:Aleshin, A, Gramatikova, S, Strongin, A.Y, Stec, B, Liddington, R.C, Smith, J.W.
Deposit date:2009-05-07
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal and solution structures of a prokaryotic M16B peptidase: an open and shut case.
Structure, 17, 2009
3ZPU
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BU of 3zpu by Molmil
Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
Descriptor: CHLORIDE ION, PROTEASE, methyl N-[(2S)-1-[2-[(4-bromophenyl)methyl]-2-[3-[(3Z,8S,11R)-8-tert-butyl-11-oxidanyl-7,10-bis(oxidanylidene)-6,9-diazabicyclo[11.2.2]heptadeca-1(15),3,13,16-tetraen-11-yl]propyl]hydrazinyl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
Authors:Joshi, A, Veron, J.B, Unge, J, Rosenquist, A, Wallberg, H, Samuelsson, B, Hallberg, A, Larhed, M.
Deposit date:2013-03-01
Release date:2013-11-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and Synthesis of P1-P3 Macrocyclic Tertiary Alcohol Comprising HIV-1 Protease Inhibitors
J.Med.Chem., 56, 2013
3HWW
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BU of 3hww by Molmil
Crystal structure of menaquinone synthesis protein MenD from E. coli in complex with oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, CHLORIDE ION, ...
Authors:Priyadarshi, A, Hwang, K.Y.
Deposit date:2009-06-19
Release date:2009-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and functional analysis of Vitamin K2 synthesis protein MenD.
Biochem.Biophys.Res.Commun., 388, 2009
4YUR
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BU of 4yur by Molmil
Crystal Structure of Plk4 Kinase Domain Bound to Centrinone
Descriptor: 2-({2-fluoro-4-[(2-fluoro-3-nitrobenzyl)sulfonyl]phenyl}sulfanyl)-5-methoxy-N-(3-methyl-1H-pyrazol-5-yl)-6-(morpholin-4-yl)pyrimidin-4-amine, Serine/threonine-protein kinase PLK4
Authors:Shiau, A.K, Motamedi, A.
Deposit date:2015-03-19
Release date:2015-06-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Cell biology. Reversible centriole depletion with an inhibitor of Polo-like kinase 4.
Science, 348, 2015
4Z7H
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BU of 4z7h by Molmil
Crystal structure of human IRE1 cytoplasmic kinase-RNase region - complex with imidazopyridine compound 3
Descriptor: 2-methoxy-4-[6-(propan-2-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide, SULFATE ION, Serine/threonine-protein kinase/endoribonuclease IRE1
Authors:Joshi, A, Bayliss, R.
Deposit date:2015-04-07
Release date:2015-05-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular mechanisms of human IRE1 activation through dimerization and ligand binding.
Oncotarget, 6, 2015
7TXR
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BU of 7txr by Molmil
Crystal structure of the Vitronectin hemopexin-like domain binding Calcium-2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Aleshin, A.E, Marassi, F.M.
Deposit date:2022-02-09
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for calcium-induced thermostability of human vitronectin
To Be Published
7U68
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BU of 7u68 by Molmil
Crystal structure of the Vitronectin hemopexin-like domain binding Sodium-2
Descriptor: CHLORIDE ION, SODIUM ION, SULFATE ION, ...
Authors:Aleshin, A.E, Marassi, F.M.
Deposit date:2022-03-03
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for calcium-induced thermostability of human vitronectin
To Be Published
5AWR
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BU of 5awr by Molmil
Crystal structure of the SGIP1 mu homology domain in the P4212 space group
Descriptor: SH3-containing GRB2-like protein 3-interacting protein 1, ZINC ION
Authors:Shimada, A, Yamaguchi, A, Kohda, D.
Deposit date:2015-07-08
Release date:2016-07-06
Last modified:2020-02-26
Method:X-RAY DIFFRACTION (2.502 Å)
Cite:Structural basis for the recognition of two consecutive mutually interacting DPF motifs by the SGIP1 mu homology domain.
Sci Rep, 6, 2016
5AWT
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BU of 5awt by Molmil
Crystal structure of the SGIP1 mu homology domain in complex with an Eps15 fragment containing two DPF motifs (YDPFGGDPFKG)
Descriptor: Epidermal growth factor receptor substrate 15, SH3-containing GRB2-like protein 3-interacting protein 1, ZINC ION
Authors:Shimada, A, Yamaguchi, A, Kohda, D.
Deposit date:2015-07-08
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Structural basis for the recognition of two consecutive mutually interacting DPF motifs by the SGIP1 mu homology domain.
Sci Rep, 6, 2016
5AWU
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BU of 5awu by Molmil
Crystal structure of the SGIP1 mu homology domain in complex with an Eps15 fragment containing two DPF motifs (YDPFKGSDPFA)
Descriptor: Epidermal growth factor receptor substrate 15, SH3-containing GRB2-like protein 3-interacting protein 1, ZINC ION
Authors:Shimada, A, Yamaguchi, A, Kohda, D.
Deposit date:2015-07-08
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the recognition of two consecutive mutually interacting DPF motifs by the SGIP1 mu homology domain.
Sci Rep, 6, 2016
5AWS
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BU of 5aws by Molmil
Crystal structure of the SGIP1 mu homology domain in the P1 space group
Descriptor: SH3-containing GRB2-like protein 3-interacting protein 1, ZINC ION
Authors:Shimada, A, Yamaguchi, A, Kohda, D.
Deposit date:2015-07-08
Release date:2016-07-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural basis for the recognition of two consecutive mutually interacting DPF motifs by the SGIP1 mu homology domain.
Sci Rep, 6, 2016
3ED1
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BU of 3ed1 by Molmil
Crystal Structure of Rice GID1 complexed with GA3
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GIBBERELLIN A3, Gibberellin receptor GID1, ...
Authors:Shimada, A, Nakatsu, T, Ueguchi-Tanaka, M, Kato, H, Matsuoka, M.
Deposit date:2008-09-02
Release date:2008-11-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for gibberellin recognition by its receptor GID1.
Nature, 456, 2008
7LPR
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BU of 7lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-LEUCINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Fujishige, A, Bone, R, Agard, D.A.
Deposit date:1991-08-05
Release date:1993-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991

221371

数据于2024-06-19公开中

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