1A22
 
 | | HUMAN GROWTH HORMONE BOUND TO SINGLE RECEPTOR | | Descriptor: | GROWTH HORMONE, GROWTH HORMONE RECEPTOR | | Authors: | De Vos, A.M, Ultsch, M. | | Deposit date: | 1998-01-15 | | Release date: | 1998-04-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and functional analysis of the 1:1 growth hormone:receptor complex reveals the molecular basis for receptor affinity.
J.Mol.Biol., 277, 1998
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6GWZ
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7RT3
 | | Crystal Structure of KRAS G12D with compound 24 (4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol) bound | | Descriptor: | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2S,4S,7aR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)naphthalen-2-ol, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | Authors: | Gunn, R.J, Thomas, N.C, Xiaolun, W, Lawson, J.D, Marx, M.A. | | Deposit date: | 2021-08-12 | | Release date: | 2021-12-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS G12D Inhibitor.
J.Med.Chem., 65, 2022
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4YN2
 | | THE ATOMIC STRUCTURE OF WISEANA SPP ENTOMOPOXVIRUS (WSEPV) FUSOLIN SPINDLES | | Descriptor: | 1,2-ETHANEDIOL, FUSOLIN, ZINC ION, ... | | Authors: | Chiu, E, Bunker, R.D, Metcalf, P. | | Deposit date: | 2015-03-09 | | Release date: | 2015-04-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural basis for the enhancement of virulence by viral spindles and their in vivo crystallization.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6GFO
 | | cyanobacterial GAPDH with full-length CP12 | | Descriptor: | CP12 polypeptide, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | McFarlane, C.R, Murray, J.W. | | Deposit date: | 2018-05-01 | | Release date: | 2019-05-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of light-induced redox regulation in the Calvin-Benson cycle in cyanobacteria.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5FHN
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3OAW
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6M4W
 | | Crystal structure of MBP fused split FKBP-FRB T2098L mutant in complex with rapamycin | | Descriptor: | GLYCEROL, Peptidyl-prolyl cis-trans isomerase FKBP1A, RAPAMYCIN IMMUNOSUPPRESSANT DRUG, ... | | Authors: | Kikuchi, M, Wu, D, Inoue, T, Umehara, T. | | Deposit date: | 2020-03-09 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Rational design and implementation of a chemically inducible heterotrimerization system.
Nat.Methods, 17, 2020
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5F82
 | | Apo GES-5 C69G mutant | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase | | Authors: | Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2015-12-08 | | Release date: | 2016-09-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
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9HT2
 | | A novel bottom-up approach to find lead-compounds in billion-sized libraries | | Descriptor: | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Bromodomain-containing protein 4, methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate | | Authors: | Ruiz Carrillo, D, Garcia Alai, M, Barril, X, Serrano-Morras, A, Bertran-Mostazo, A, Juarez-Jimenez, J, Defelipe, L. | | Deposit date: | 2024-12-19 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | A bottom-up approach to find lead compounds in expansive chemical spaces.
Commun Chem, 8, 2025
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8J2K
 | | Crystal structure of a bright green fluorescent protein (StayGold) with double mutation (N137A, Q140S) in jellyfish Cytaeis uchidae from Biortus | | Descriptor: | 1,2-ETHANEDIOL, StayGold(N137A, Q140S) | | Authors: | Wu, J, Wang, F, Gui, W, Cheng, W, Yang, Y. | | Deposit date: | 2023-04-14 | | Release date: | 2023-12-13 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a bright green fluorescent protein (StayGold) in jellyfish Cytaeis uchidae from Biortus
To Be Published
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4ABF
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-(5-BROMO-1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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3NQF
 | | Crystal structure of the mutant L123S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase | | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2010-06-29 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.312 Å) | | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site.
Biochemistry, 50, 2011
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7ZLE
 | | Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Roversi, P, Zitzmann, N, Bayo, Y, Le Cornu, J.D. | | Deposit date: | 2022-04-14 | | Release date: | 2022-06-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.823 Å) | | Cite: | A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein quality control checkpoint
To Be Published
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7FQL
 | | Crystal Structure of human Legumain in complex with (2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-[1-[4-[(2,4-difluorophenyl)methoxy]phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain, ... | | Authors: | Ehler, A, Benz, J, Bartels, B, Rudolph, M.G. | | Deposit date: | 2022-10-05 | | Release date: | 2023-10-11 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Crystal Structure of a human Legumain complex
To be published
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5KFG
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8J2J
 | | Crystal structure of a bright green fluorescent protein (StayGold) with single mutation (Y187F) in jellyfish Cytaeis uchidae from Biortus | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, StayGold(Y187F) | | Authors: | Wu, J, Wang, F, Gui, W, Cheng, W, Yang, Y. | | Deposit date: | 2023-04-14 | | Release date: | 2023-12-13 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a bright green fluorescent protein (StayGold) in jellyfish Cytaeis uchidae from Biortus
To Be Published
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8J2I
 | | Crystal structure of a bright green fluorescent protein (StayGold) with single mutation (Q140S) in jellyfish Cytaeis uchidae from Biortus | | Descriptor: | 1,2-ETHANEDIOL, StayGold(Q140S) | | Authors: | Wu, J, Wang, F, Gui, W, Cheng, W, Yang, Y. | | Deposit date: | 2023-04-14 | | Release date: | 2023-12-13 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of a bright green fluorescent protein (StayGold) in jellyfish Cytaeis uchidae from Biortus
To Be Published
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7BBM
 | | Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX | | Descriptor: | 1,2-ETHANEDIOL, MANGANESE PROTOPORPHYRIN IX, UPF0678 fatty acid-binding protein-like protein At1g79260 | | Authors: | Minges, A, Sauer, D.F, Wittwer, M, Markel, U, Spiertz, M, Schiffels, J, Davari, M.D, Okuda, J, Schwaneberg, U, Groth, G. | | Deposit date: | 2020-12-18 | | Release date: | 2021-05-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Chemogenetic engineering of nitrobindin toward an artificial epoxygenase
Catalysis Science And Technology, 2021
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5K8U
 | | Crystal structure of ZIKV NS3 helicase in complex with ADP and Mn2+ | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Cao, X, Li, Y, Jin, T. | | Deposit date: | 2016-05-31 | | Release date: | 2016-11-09 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Nucleic Acids Res., 44, 2016
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6E8T
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4ABG
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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6E3Z
 | | Structure of Bace-1 in complex with Ligand 8 | | Descriptor: | Beta-secretase 1, N-{3-[(2R,3R)-5-amino-3-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-1,4-oxazin-3-yl]-4-fluorophenyl}-3,5-dichloropyridine-2-carboxamide | | Authors: | Shaffer, P.L. | | Deposit date: | 2018-07-16 | | Release date: | 2019-09-11 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery and Chemical Development of JNJ-50138803, a Clinical Candidate BACE1 Inhibitor
Acs Symp.Ser., 1307, 2020
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2BT4
 | | Type II Dehydroquinase inhibitor complex | | Descriptor: | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-DEHYDROQUINATE DEHYDRATASE, ... | | Authors: | Toscano, M.D, Stewart, K.A, Coggins, J.R, Lapthorn, A.J, Abell, C. | | Deposit date: | 2005-05-26 | | Release date: | 2006-02-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rational Design of New Bifunctional Inhibitors of Type II Dehydroquinase.
Org.Biomol.Chem., 3, 2005
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6BJR
 | | Crystal structure of prothrombin mutant S101C/A470C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Prothrombin, ... | | Authors: | Chinnaraj, M, Chen, Z, Pelc, L, Grese, Z, Bystranowska, D, Di Cera, E, Pozzi, N. | | Deposit date: | 2017-11-06 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (6 Å) | | Cite: | Structure of prothrombin in the closed form reveals new details on the mechanism of activation.
Sci Rep, 8, 2018
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