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7XC1
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BU of 7xc1 by Molmil
Crystal structure of ERK2 with an allosteric inhibitor 3
Descriptor: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Yoshida, M, Kinoshita, T.
Deposit date:2022-03-22
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural basis for ERK2 allosteric inhibitors.
To Be Published
7XGL
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BU of 7xgl by Molmil
Quinolinate Phosphoribosyl Transferase (QAPRTase) from Streptomyces pyridomyceticus NRRL B-2517 in Apo form
Descriptor: CHLORIDE ION, GLYCEROL, Quinolinate Phosphoribosyl Transferase, ...
Authors:Zhou, Z, Yang, X, Huang, T, Wang, X, Liang, R, Zheng, J, Dai, S, Lin, S, Deng, Z.
Deposit date:2022-04-05
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Bifunctional NadC Homologue PyrZ Catalyzes Nicotinic Acid Formation in Pyridomycin Biosynthesis.
Acs Chem.Biol., 18, 2023
3B07
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BU of 3b07 by Molmil
Crystal structure of octameric pore form of gamma-hemolysin from Staphylococcus aureus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Gamma-hemolysin component A, Gamma-hemolysin component B
Authors:Yamashita, K, Kawai, Y, Tanaka, Y, Yao, M, Tanaka, I.
Deposit date:2011-06-06
Release date:2011-10-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Crystal structure of the octameric pore of staphylococcal gamma-hemolysin reveals the beta-barrel pore formation mechanism by two components
Proc.Natl.Acad.Sci.USA, 108, 2011
3B8Q
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BU of 3b8q by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor
Descriptor: N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Long, A.M, Gu, Y, Zhao, H.
Deposit date:2007-11-01
Release date:2008-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Naphthamides as Novel and Potent Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitors: Design, Synthesis and Evaluation
J.Med.Chem., 51, 2008
7XGM
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BU of 7xgm by Molmil
Quinolinate Phosphoribosyl Transferase (QAPRTase) from Streptomyces pyridomyceticus NRRL B-2517 in complex with Quinolinic Acid (QA)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, QUINOLINIC ACID, ...
Authors:Zhou, Z, Yang, X, Huang, T, Wang, X, Liang, R, Zheng, J, Dai, S, Lin, S, Deng, Z.
Deposit date:2022-04-05
Release date:2023-03-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Bifunctional NadC Homologue PyrZ Catalyzes Nicotinic Acid Formation in Pyridomycin Biosynthesis.
Acs Chem.Biol., 18, 2023
3B27
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BU of 3b27 by Molmil
Hsp90 alpha N-terminal domain in complex with an inhibitor Ro4919127
Descriptor: 4-(2-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazin-2-amine, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
3B2K
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BU of 3b2k by Molmil
Iodide derivative of human LFABP
Descriptor: Fatty acid-binding protein, liver, IODIDE ION, ...
Authors:Sharma, A, Yogavel, M, Sharma, A.
Deposit date:2011-08-03
Release date:2012-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
6E5Z
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BU of 6e5z by Molmil
Crystal structure of human DJ-1 with a natural modification on Cys-106
Descriptor: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Shumilin, I.A, Shumilina, S.V, Minor, W.
Deposit date:2018-07-23
Release date:2018-08-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1.
Biochem. Biophys. Res. Commun., 504, 2018
6E99
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BU of 6e99 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor.
Descriptor: 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A, Hobson, A.D.
Deposit date:2018-07-31
Release date:2018-11-14
Last modified:2019-01-16
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
6E9H
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BU of 6e9h by Molmil
The crystal structure of bovine ultralong antibody BOV-3
Descriptor: Bovine ultralong antibody BOV-3 heavy chain, Bovine ultralong antibody BOV-3 light chain
Authors:Dong, J, Crowe, J.E.
Deposit date:2018-08-01
Release date:2019-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Diversity of Ultralong CDRH3s in Seven Bovine Antibody Heavy Chains.
Front Immunol, 10, 2019
6E8V
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BU of 6e8v by Molmil
The crystal structure of bovine ultralong antibody BOV-1
Descriptor: Bovine ultralong antibody BOV-1 Heavy chain, Bovine ultralong antibody BOV-1 light chain
Authors:Dong, J, Crowe, J.E.
Deposit date:2018-07-31
Release date:2019-09-04
Last modified:2020-10-21
Method:X-RAY DIFFRACTION (3.79 Å)
Cite:Structural Diversity of Ultralong CDRH3s in Seven Bovine Antibody Heavy Chains.
Front Immunol, 10, 2019
3B25
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BU of 3b25 by Molmil
Hsp90 alpha N-terminal domain in complex with an inhibitor CH4675194
Descriptor: 4-Methyl-6-(toluene-4-sulfonyl)-pyrimidin-2-ylamine, Heat shock protein HSP 90-alpha
Authors:Fukami, T.A, Ono, N.
Deposit date:2011-07-21
Release date:2011-09-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design
Bioorg.Med.Chem.Lett., 21, 2011
6EJ8
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BU of 6ej8 by Molmil
Human Xylosyltransferase 1 in complex with peptide QEEEGSGGGQGG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Protein AMBP, ...
Authors:Briggs, D.C, Hohenester, E.
Deposit date:2017-09-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural Basis for the Initiation of Glycosaminoglycan Biosynthesis by Human Xylosyltransferase 1.
Structure, 26, 2018
3B2H
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BU of 3b2h by Molmil
Iodide derivative of human LFABP at high resolution
Descriptor: Fatty acid-binding protein, liver, IODIDE ION, ...
Authors:Sharma, A, Yogavel, M, Sharma, A.
Deposit date:2011-08-03
Release date:2012-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
7XJM
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BU of 7xjm by Molmil
Structure of VcPotD1 in complex with spermidine
Descriptor: HEXAETHYLENE GLYCOL, Putrescine-binding periplasmic protein, SPERMIDINE, ...
Authors:Ma, Q, Liu, C.
Deposit date:2022-04-18
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:structure of VcPotD1 in complex with spermidine
To Be Published
3B8T
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BU of 3b8t by Molmil
Crystal structure of Escherichia coli alaine racemase mutant P219A
Descriptor: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-11-02
Release date:2008-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
6EJE
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BU of 6eje by Molmil
Human Xylosyltransferase 1 in complex with peptide PAAEGSGEQDFT
Descriptor: PHOSPHATE ION, SODIUM ION, Syndecan-1, ...
Authors:Briggs, D.C, Hohenester, E.
Deposit date:2017-09-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural Basis for the Initiation of Glycosaminoglycan Biosynthesis by Human Xylosyltransferase 1.
Structure, 26, 2018
7XJN
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BU of 7xjn by Molmil
Structure of VcPotD1 in complex with norspermidine
Descriptor: HEXAETHYLENE GLYCOL, N-(3-aminopropyl)propane-1,3-diamine, Putrescine-binding periplasmic protein, ...
Authors:Ma, Q, Liu, C.
Deposit date:2022-04-18
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure of VcPotD1 in complex with norspermidine
To Be Published
7XOL
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BU of 7xol by Molmil
Cryo-EM structure of single empty ring 2 (SER2) of GroEL-UGT1A complex at 3.2 Ang. resolution
Descriptor: Chaperonin GroEL
Authors:Stapleton, K, Takagi, J, Mizohata, E.
Deposit date:2022-05-01
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Unmasking GroEL: Structure, dynamics, and substrate binding revealed by single-particle cryo-EM
To Be Published
7XOP
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BU of 7xop by Molmil
Cryo-EM structure of occupied ring subunit 1 (OR1) of GroEL from GroEL-UGT1A double occupied ring complex
Descriptor: Chaperonin GroEL
Authors:Stapleton, K, Takagi, J, Mizohata, E.
Deposit date:2022-05-01
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Unmasking GroEL: Structure, dynamics, and substrate binding revealed by single-particle cryo-EM
To Be Published
6E9U
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BU of 6e9u by Molmil
The crystal structure of bovine ultralong antibody BOV-7
Descriptor: Bovine ultralong antibody BOV-7 heavy chain, Bovine ultralong antibody BOV-7 light chain
Authors:Dong, J, Crowe, J.E.
Deposit date:2018-08-01
Release date:2019-05-01
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Structural Diversity of Ultralong CDRH3s in Seven Bovine Antibody Heavy Chains.
Front Immunol, 10, 2019
7XOQ
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BU of 7xoq by Molmil
Cryo-EM structure of occupied ring subunit 2 (OR2) of GroEL from GroEL-UGT1A double occupied ring complex
Descriptor: Chaperonin GroEL
Authors:Stapleton, K, Takagi, J, Mizohata, E.
Deposit date:2022-05-01
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Unmasking GroEL: Structure, dynamics, and substrate binding revealed by single-particle cryo-EM
To Be Published
7XOO
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BU of 7xoo by Molmil
Cryo-EM structure of empty ring subunit 2 (ER2) from GroEL-UGT1A single empty ring complex
Descriptor: Chaperonin GroEL
Authors:Stapleton, K, Takagi, J, Mizohata, E.
Deposit date:2022-05-01
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Unmasking GroEL: Structure, dynamics, and substrate binding revealed by single-particle cryo-EM
To Be Published
3BI1
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BU of 3bi1 by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a transition state analog of methotrexate-Glu
Descriptor: (2S)-2-{[(R)-[(3R)-3-carboxy-3-{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Lubkowski, J.
Deposit date:2007-11-29
Release date:2008-01-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of interactions between human glutamate carboxypeptidase II and its substrate analogs
J.Mol.Biol., 376, 2008
3BIW
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BU of 3biw by Molmil
Crystal structure of the Neuroligin-1/Neurexin-1beta synaptic adhesion complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Arac, D, Boucard, A.A, Ozkan, E, Strop, P, Newell, E, Sudhof, T.C, Brunger, A.T.
Deposit date:2007-12-01
Release date:2007-12-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structures of Neuroligin-1 and the Neuroligin-1/Neurexin-1beta Complex Reveal Specific Protein-Protein and Protein-Ca(2+) Interactions.
Neuron, 56, 2007

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