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7SWI
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BU of 7swi by Molmil
cTnC-TnI chimera complexed with A2
Descriptor: 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, Troponin C, slow skeletal and cardiac muscles,Troponin I, ...
Authors:Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D.
Deposit date:2021-11-19
Release date:2022-04-06
Last modified:2022-04-27
Method:SOLUTION NMR
Cite:Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
7SUP
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BU of 7sup by Molmil
NMR structure of cTnC-TnI chimera bound to calcium and A1
Descriptor: 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, CALCIUM ION, Troponin C, ...
Authors:Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D.
Deposit date:2021-11-17
Release date:2022-04-06
Last modified:2022-04-27
Method:SOLUTION NMR
Cite:Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
7SVC
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BU of 7svc by Molmil
NMR structure of cTnC-TnI chimera bound to calcium and A2
Descriptor: 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, CALCIUM ION, Troponin C, ...
Authors:Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D.
Deposit date:2021-11-18
Release date:2022-04-06
Last modified:2022-04-27
Method:SOLUTION NMR
Cite:Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
7SWG
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BU of 7swg by Molmil
cTnC-TnI chimera complexed with A1
Descriptor: 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide, Troponin C, slow skeletal and cardiac muscles,Troponin I, ...
Authors:Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D.
Deposit date:2021-11-19
Release date:2022-04-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
7SXC
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BU of 7sxc by Molmil
cTnC-TnI chimera complexed with calcium
Descriptor: CALCIUM ION, Troponin C, slow skeletal and cardiac muscles,Troponin I, ...
Authors:Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D.
Deposit date:2021-11-22
Release date:2022-04-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
7SXD
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BU of 7sxd by Molmil
NMR solution structure TnC-TnI chimera
Descriptor: Troponin C, slow skeletal and cardiac muscles,Troponin I, cardiac muscle chimera
Authors:Poppe, L, Hartman, J.J, Romero, A, Reagan, J.D.
Deposit date:2021-11-22
Release date:2022-04-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Biochemistry, 61, 2022
6OVC
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BU of 6ovc by Molmil
hMcl1 inhibitor complex
Descriptor: (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Poppe, L.
Deposit date:2019-05-07
Release date:2019-05-22
Method:SOLUTION NMR
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
2KEF
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BU of 2kef by Molmil
Solution NMR structures of human hepcidin at 325K
Descriptor: Hepcidin
Authors:Jordan, J.B, Poppe, L, Hainu, M, Arvedson, T, Syed, R, Li, V, Kohno, H, Kim, H, Miranda, L.P, Cheetham, J, Sasu, B.J.
Deposit date:2009-01-29
Release date:2009-06-23
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Hepcidin revisited, disulfide connectivity, dynamics, and structure.
J.Biol.Chem., 284, 2009
2LZG
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BU of 2lzg by Molmil
NMR Structure of Mdm2 (6-125) with Pip-1
Descriptor: E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid
Authors:Michelsen, K.B, Jordan, J.B, Lewis, J, Long, A.M, Yang, E, Rew, Y, Zhou, J, Yakowec, P, Schnier, P.D, Huang, X, Poppe, L.
Deposit date:2012-10-02
Release date:2012-11-07
Method:SOLUTION NMR
Cite:Ordering of the N-Terminus of Human MDM2 by Small Molecule Inhibitors.
J.Am.Chem.Soc., 134, 2012
2MHS
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BU of 2mhs by Molmil
NMR Structure of human Mcl-1
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Liu, G, Poppe, L, Aoki, K, Yamane, H, Lewis, J, Szyperski, T.
Deposit date:2013-12-04
Release date:2014-05-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:High-Quality NMR Structure of Human Anti-Apoptotic Protein Domain Mcl-1(171-327) for Cancer Drug Design.
Plos One, 9, 2014
6F6T
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BU of 6f6t by Molmil
Phenylalanine ammonia-lyase (PAL) from Petroselinum crispum complexed with S-APPA
Descriptor: (S)-(1-amino-2phenylallyl)phosphonic acid, Phenylalanine ammonia-lyase 1
Authors:Bata, Z, Leveles, I, Vertessy, G.B, Poppe, L.
Deposit date:2017-12-06
Release date:2019-06-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89995968 Å)
Cite:Substrate Tunnel Engineering Aided by X-ray Crystallography and Functional Dynamics Swaps the Function of MIO-Enzymes
Acs Catalysis, 2021
6H2O
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BU of 6h2o by Molmil
APO structure of Phenylalanine ammonia-lyase from Petroselinum crispum
Descriptor: Phenylalanine ammonia-lyase 1
Authors:Molnar, B, Bata, Z, Leveles, I, Poppe, L, Vertessy, G.B.
Deposit date:2018-07-14
Release date:2019-07-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate Tunnel Engineering Aided by X-ray Crystallography and Functional Dynamics Swaps the Function of MIO-Enzymes
Acs Catalysis, 2021
6HQF
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BU of 6hqf by Molmil
Structure of Phenylalanine ammonia-lyase from Petroselinum crispum in complex with (R)-APEP
Descriptor: Phenylalanine ammonia-lyase 1, [(1R)-1-amino-2-phenylethyl]phosphonic acid
Authors:Bata, Z, Molnar, B, Leveles, I, Poppe, L, Vertessy, G.B.
Deposit date:2018-09-24
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Substrate Tunnel Engineering Aided by X-ray Crystallography and Functional Dynamics Swaps the Function of MIO-Enzymes
Acs Catalysis, 2021
7JQD
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BU of 7jqd by Molmil
Crystal Structure of PAC1r in complex with peptide antagonist
Descriptor: Peptide-43, Pituitary adenylate cyclase-activating polypeptide type I receptor
Authors:Piper, D.E, Hu, E, Fang-Tsao, H.
Deposit date:2020-08-10
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Selective Pituitary Adenylate Cyclase 1 Receptor (PAC1R) Antagonist Peptides Potent in a Maxadilan/PACAP38-Induced Increase in Blood Flow Pharmacodynamic Model.
J.Med.Chem., 64, 2021
6O6F
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BU of 6o6f by Molmil
Co-crystal structure of Mcl1 with inhibitor
Descriptor: (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X.
Deposit date:2019-03-06
Release date:2019-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQD
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BU of 6oqd by Molmil
Crystal structure of Mcl1 with inhibitor 8
Descriptor: (4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X.
Deposit date:2019-04-26
Release date:2019-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQN
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BU of 6oqn by Molmil
Crystal structure of Mcl1 with inhibitor 7
Descriptor: (4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X.
Deposit date:2019-04-26
Release date:2019-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6OQB
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BU of 6oqb by Molmil
Co-crystal structure of Mcl1 with inhibitor 10
Descriptor: (4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X.
Deposit date:2019-04-26
Release date:2019-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6O6G
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BU of 6o6g by Molmil
Co-crystal structure of Mcl1 with inhibitor
Descriptor: (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X.
Deposit date:2019-03-06
Release date:2019-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
3H0T
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BU of 3h0t by Molmil
Hepcidin-Fab complex
Descriptor: Fab fragment, Heavy chain, Light chain, ...
Authors:Syed, R, Li, V.
Deposit date:2009-04-10
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Hepcidin revisited, disulfide connectivity, dynamics, and structure.
J.Biol.Chem., 284, 2009
4HBM
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BU of 4hbm by Molmil
Ordering of the N Terminus of Human MDM2 by Small Molecule Inhibitors
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2012-09-28
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ordering of the N-terminus of human MDM2 by small molecule inhibitors.
J.Am.Chem.Soc., 134, 2012
6RGS
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BU of 6rgs by Molmil
Crystal Structure of Phenylalanine Ammonia Lyase (PAL) from Petroselinum crispum bound to cinnamate
Descriptor: (E)-3-(4-methoxyphenyl)acrylic acid, Phenylalanine ammonia-lyase 1
Authors:Brem, J, Lang, P, Bencze, C.-L, Schofield, C.
Deposit date:2019-04-17
Release date:2019-09-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.42001033 Å)
Cite:Mapping the Hydrophobic Substrate Binding Site of Phenylalanine Ammonia Lyase from Petroselinum crispum
Acs Catalysis, 2019

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