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3H6U
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BU of 3h6u by Molmil
Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS1493 at 1.85 A resolution
Descriptor: (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, CITRATE ANION, GLUTAMIC ACID, ...
Authors:Hald, H, Gajhede, M, Kastrup, J.S.
Deposit date:2009-04-24
Release date:2009-07-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2.
J.Mol.Biol., 391, 2009
7UIQ
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BU of 7uiq by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and Tiam1
Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit alpha, T-lymphoma invasion and metastasis-inducing protein 1
Authors:Ozden, C, Stratton, M.M, Garman, S.C.
Deposit date:2022-03-29
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7UIR
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BU of 7uir by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and Tiam1 in complex with ATP
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ...
Authors:Ozden, C, Stratton, M.M, Garman, S.C.
Deposit date:2022-03-29
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7UIS
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BU of 7uis by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, NMDA 2B
Authors:Ozden, C, Stratton, M.M, Garman, S.C.
Deposit date:2022-03-29
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7UJT
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BU of 7ujt by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D) in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, ...
Authors:Ozden, C, Stratton, M.M, Garman, S.C.
Deposit date:2022-03-31
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7UJS
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BU of 7ujs by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ...
Authors:Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C.
Deposit date:2022-03-31
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7UJR
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BU of 7ujr by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B
Descriptor: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ...
Authors:Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C.
Deposit date:2022-03-31
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7UJQ
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BU of 7ujq by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B
Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, Glutamate receptor ionotropic, ...
Authors:Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C.
Deposit date:2022-03-31
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7UJP
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BU of 7ujp by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ...
Authors:Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C.
Deposit date:2022-03-31
Release date:2022-04-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7URZ
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BU of 7urz by Molmil
Hexadecameric hub domain of CaMKII beta
Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit beta
Authors:Ozden, C, Samkutty, A, Stratton, M.M, Garman, S.C.
Deposit date:2022-04-22
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Hexadecameric hub domain of CaMKII beta
To Be Published
7URW
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BU of 7urw by Molmil
Tetradecameric hub domain of CaMKII beta
Descriptor: Calcium/calmodulin-dependent protein kinase type II subunit beta
Authors:Ozden, C, Samkutty, A, Stratton, M.M, Garman, S.C.
Deposit date:2022-04-22
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Tetradecameric hub domain of CaMKII beta
To Be Published
9J4Z
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BU of 9j4z by Molmil
Crystal structure of the open state of omega transaminase TA_5182 from Pseudomonas putida KT2440
Descriptor: Polyamine:pyruvate transaminase, SULFATE ION
Authors:Das, P, Bhaumik, P.
Deposit date:2024-08-10
Release date:2025-06-04
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural insights and rational design of Pseudomonasputida KT2440 omega transaminases for enhanced biotransformation of (R)-PAC to (1R, 2S)-Norephedrine.
J.Biol.Chem., 301, 2025
9J50
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BU of 9j50 by Molmil
Crystal structure of the closed state of the omega transaminase TA_5182 from Pseudomonas putida KT2440
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, Polyamine:pyruvate transaminase
Authors:Das, P, Bhaumik, P.
Deposit date:2024-08-10
Release date:2025-06-04
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights and rational design of Pseudomonasputida KT2440 omega transaminases for enhanced biotransformation of (R)-PAC to (1R, 2S)-Norephedrine.
J.Biol.Chem., 301, 2025
8F9H
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BU of 8f9h by Molmil
H64A swMb-MeNO adduct
Descriptor: Myoglobin, NITROSOMETHANE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Herrera, V.E, Thomas, L.M.
Deposit date:2022-11-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
8F9N
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BU of 8f9n by Molmil
H64A swMb-iPrNO adduct
Descriptor: 2-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Herrera, V.E, Thomas, L.M.
Deposit date:2022-11-24
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
8F9I
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BU of 8f9i by Molmil
H64A swMb-EtNO adduct
Descriptor: Myoglobin, NITROSOETHANE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Herrera, V.E, Thomas, L.N.
Deposit date:2022-11-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
8F9J
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BU of 8f9j by Molmil
H64A swMb-PrNO adduct
Descriptor: 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Herrera, V.E, Thomas, L.M.
Deposit date:2022-11-23
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
8HQA
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BU of 8hqa by Molmil
Crystal structure of the ectodomain of the MlaD protein from Escherichia coli in the resting state
Descriptor: Intermembrane phospholipid transport system binding protein MlaD
Authors:Dutta, A, Kanaujia, S.P.
Deposit date:2022-12-13
Release date:2024-01-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Structural Features of MlaD Illuminate its Unique Ligand-Transporting Mechanism and Ancestry.
Protein J., 43, 2024
8HQ9
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BU of 8hq9 by Molmil
Crystal structure of the MlaD domain of the MlaD protein from Escherichia coli (Form II)
Descriptor: CARBON DIOXIDE, Intermembrane phospholipid transport system binding protein MlaD, MAGNESIUM ION
Authors:Dutta, A, Kanaujia, S.P.
Deposit date:2022-12-13
Release date:2024-01-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Structural Features of MlaD Illuminate its Unique Ligand-Transporting Mechanism and Ancestry.
Protein J., 43, 2024
8FW6
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BU of 8fw6 by Molmil
Human Lactate Dehydrogenase A in Complex with Inhibitor CHK-336
Descriptor: (2P)-2-{5-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Lowther, W.T, Gumpena, R.
Deposit date:2023-01-20
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Human Lactate Dehydrogenase A in complex with inhibitor CHK-336
To Be Published
8G2M
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BU of 8g2m by Molmil
The tumor activated anti-CTLA-4 monoclonal antibody XTX101 demonstrates tumor-growth inhibition and tumor-selective pharmacodynamics in mouse models of cancer
Descriptor: CITRIC ACID, Heavy chain of humanized IgG, Light chain of humanized IgG, ...
Authors:Williams, J.C, Williams, J.C.
Deposit date:2023-02-05
Release date:2024-02-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:XTX101, a tumor-activated, Fc-enhanced anti-CTLA-4 monoclonal antibody, demonstrates tumor-growth inhibition and tumor-selective pharmacodynamics in mouse models of cancer.
J Immunother Cancer, 11, 2023
8H78
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BU of 8h78 by Molmil
Crystal structure of human MMP-2 catalytic domain in complex with inhibitor
Descriptor: (2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ...
Authors:Kamitani, M, Takeuchi, T, Mima, M.
Deposit date:2022-10-19
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of TP0597850: A Selective, Chemically Stable, and Slow Tight-Binding Matrix Metalloproteinase-2 Inhibitor with a Phenylbenzamide-Pentapeptide Hybrid Scaffold.
J.Med.Chem., 66, 2023
8GLR
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BU of 8glr by Molmil
FrlB - Deglycase for 6-phosphofructose lysine
Descriptor: GLYCEROL, SIS domain-containing protein
Authors:Bell, C.E, Gopalan, V, Kovvali, S.
Deposit date:2023-03-22
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Insights into the catalytic mechanism of a bacterial deglycase essential for utilization of fructose-lysine.
Protein Sci., 32, 2023
8GU1
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BU of 8gu1 by Molmil
Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with Pimozide
Descriptor: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, Putative amino acid-binding periplasmic ABC transporter protein
Authors:Lonare, S, Sharma, M, Sharma, A.K.
Deposit date:2022-09-09
Release date:2023-07-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Identification and evaluation of potential inhibitor molecules against TcyA from Candidatus Liberibacter asiaticus.
J.Struct.Biol., 215, 2023
8GYR
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BU of 8gyr by Molmil
Crystal structure of a variable region segment of Leptospira host-interacting outer surface protein, LigA
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Kumar, P, Akif, M.
Deposit date:2022-09-23
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structure of a variable region segment of Leptospira host-interacting outer surface protein, LigA, reveals the orientation of Ig-like domains.
Int.J.Biol.Macromol., 244, 2023

238582

건을2025-07-09부터공개중

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