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PDB: 51 results

1M47
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Crystal Structure of Human Interleukin-2
Descriptor: SULFATE ION, interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, Wells, J.A, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface.
Proc.Natl.Acad.Sci.USA, 100, 2003
1M4B
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BU of 1m4b by Molmil
Crystal Structure of Human Interleukin-2 K43C Covalently Modified at C43 with 2-[2-(2-Cyclohexyl-2-guanidino-acetylamino)-acetylamino]-N-(3-mercapto-propyl)-propionamide
Descriptor: 2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE, interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1M48
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Crystal Structure of Human IL-2 Complexed with (R)-N-[2-[1-(Aminoiminomethyl)-3-piperidinyl]-1-oxoethyl]-4-(phenylethynyl)-L-phenylalanine methyl ester
Descriptor: 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER, interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1M4C
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BU of 1m4c by Molmil
Crystal Structure of Human Interleukin-2
Descriptor: interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1M4A
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BU of 1m4a by Molmil
Crystal Structure of Human Interleukin-2 Y31C Covalently Modified at C31 with (1H-Indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid
Descriptor: (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID, GLYCEROL, interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1M49
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Crystal Structure of Human Interleukin-2 Complexed with SP-1985
Descriptor: 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER, interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
5FTM
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Cryo-EM structure of human p97 bound to ATPgS (Conformation II)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
5FTK
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Cryo-EM structure of human p97 bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
5FTL
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Cryo-EM structure of human p97 bound to ATPgS (Conformation I)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
5FTJ
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BU of 5ftj by Molmil
Cryo-EM structure of human p97 bound to UPCDC30245 inhibitor
Descriptor: 1-(3-(5-FLUORO-1H-INDOL-2-YL)PHENYL)PIPERIDIN-4-YL)(2-(4-ISOPROPYL-PIPERAZIN1-YL)ETHYL)-CARBAMATE, ADENOSINE-5'-DIPHOSPHATE, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
5FTN
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BU of 5ftn by Molmil
Cryo-EM structure of human p97 bound to ATPgS (Conformation III)
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, TRANSITIONAL ENDOPLASMIC RETICULUM ATPASE
Authors:Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
Deposit date:2016-01-14
Release date:2016-01-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
1NBP
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BU of 1nbp by Molmil
Crystal Structure Of Human Interleukin-2 Y31C Covalently Modified At C31 With 3-Mercapto-1-(1,3,4,9-tetrahydro-B-carbolin-2-yl)-propan-1-one
Descriptor: 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-CARBOLIN-2-YL)-PROPAN-1-ONE, Interleukin-2, SULFATE ION
Authors:Hyde, J, Braisted, A.C, Randal, M, Arkin, M.R.
Deposit date:2002-12-03
Release date:2002-12-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and characterization of cooperative ligand binding in the adaptive region of interleukin-2
Biochemistry, 42, 2003
8EG6
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BU of 8eg6 by Molmil
huCaspase-6 in complex with inhibitor 2a
Descriptor: (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R.
Deposit date:2022-09-11
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
8EG5
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BU of 8eg5 by Molmil
huCaspase-6 in complex with inhibitor 3a
Descriptor: (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ...
Authors:Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R.
Deposit date:2022-09-11
Release date:2023-05-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
7KC3
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BU of 7kc3 by Molmil
X-ray structure of Lfa-1 I domain collected at 273 K
Descriptor: Integrin alpha-L, MAGNESIUM ION
Authors:Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S.
Deposit date:2020-10-05
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
7KC6
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BU of 7kc6 by Molmil
X-ray structure of Lfa-1 I domain in complex with Lovastatin collected at 273 K
Descriptor: Integrin alpha-L, LOVASTATIN, MAGNESIUM ION
Authors:Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S.
Deposit date:2020-10-05
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
7KC5
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BU of 7kc5 by Molmil
X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K
Descriptor: 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, MAGNESIUM ION
Authors:Woldeyes, R.A, Hallenbeck, K.K, Pfaff, S.J, Lee, G, Cortez, S.V, Kelly, M.J, Akassoglou, K, Arkin, M.R, Fraser, J.S.
Deposit date:2020-10-05
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Divergent conformational dynamics controls allosteric ligand accessibility across evolutionarily related I-domain-containing integrins
To Be Published
3R7N
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BU of 3r7n by Molmil
Caspase-2 bound with two copies of Ac-DVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)DVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-22
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R5J
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BU of 3r5j by Molmil
Crystal structure of active caspase-2 bound with Ac-ADVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)ADVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-18
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R6L
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BU of 3r6l by Molmil
Caspase-2 T380A bound with Ac-VDVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)VDVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-21
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R7B
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BU of 3r7b by Molmil
Caspase-2 bound to one copy of Ac-DVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)DVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-22
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R6G
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BU of 3r6g by Molmil
Crystal structure of active caspase-2 bound with Ac-VDVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)VDVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-21
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R7S
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BU of 3r7s by Molmil
Crystal Structure of Apo Caspase2
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-22
Release date:2011-07-27
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
8F78
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BU of 8f78 by Molmil
Compound 1 bound to procaspase-6
Descriptor: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6
Authors:Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
Deposit date:2022-11-18
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A Comprehensive Empirical-Computational Study of Diverse Heteroarene Stacking Interactions Under Physiological Conditions
To Be Published
8F97
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BU of 8f97 by Molmil
Compound 5 bound to procaspase-6
Descriptor: 1,2-ETHANEDIOL, 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol, CHLORIDE ION, ...
Authors:Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
Deposit date:2022-11-23
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:A Comprehensive Empirical-Computational Study of Diverse Heteroarene Stacking Interactions Under Physiological Conditions
To Be Published

 

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