5I95
 
 | | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | | Authors: | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | | Deposit date: | 2016-02-19 | | Release date: | 2017-03-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
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5I96
 | | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor. | | Descriptor: | 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ... | | Authors: | Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | | Deposit date: | 2016-02-19 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Cancer Discov, 7, 2017
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1BNT
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | 3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPHENYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-30 | | Release date: | 1999-06-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1BNU
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | 3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-30 | | Release date: | 1999-06-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1BNW
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | CARBONIC ANHYDRASE, MERCURY (II) ION, N-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDE, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-30 | | Release date: | 1999-06-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1BNM
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | (R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-30 | | Release date: | 1999-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1BN3
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | 2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFINAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-31 | | Release date: | 1999-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1BNN
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | 3,,4-DIHYDRO-2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-30 | | Release date: | 1999-05-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1BN4
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | CARBONIC ANHYDRASE, MERCURY (II) ION, N-[(4-METHOXYPHENYL)METHYL]2,5-THIOPHENEDESULFONAMIDE, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-31 | | Release date: | 1999-05-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1BN1
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | CARBONIC ANHYDRASE, MERCURY (II) ION, THIOPHENE-2,5-DISULFONIC ACID 2-AMIDE-5-(4-METHYL-BENZYLAMIDE), ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-31 | | Release date: | 1999-05-18 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1BNQ
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | (R)-4-ETHYLAMINO-3,4-DIHYDRO-2-(2-METHOYLETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-30 | | Release date: | 1999-06-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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1BNV
 | | CARBONIC ANHYDRASE II INHIBITOR | | Descriptor: | (S)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-4-METHYLAMINO-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, CARBONIC ANHYDRASE, MERCURY (II) ION, ... | | Authors: | Boriack-Sjodin, P.A, Zeitlin, S, Christianson, D.W. | | Deposit date: | 1998-07-30 | | Release date: | 1999-02-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analysis of inhibitor binding to human carbonic anhydrase II.
Protein Sci., 7, 1998
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3INM
 | | Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase R132H mutant in complex with NADPH, ALPHA-KETOGLUTARATE and CALCIUM(2+) | | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Fontano, E, Brown, R.S, Suto, R.K, Bhyravbhatla, B. | | Deposit date: | 2009-08-12 | | Release date: | 2009-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cancer-associated IDH1 mutations produce 2-hydroxyglutarate.
Nature, 462, 2009
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1A42
 | | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE | | Descriptor: | (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | Authors: | Boriack-Sjodin, P.A, Christianson, D.W. | | Deposit date: | 1998-02-10 | | Release date: | 1999-03-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination.
Protein Sci., 7, 1998
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3KJ6
 | | Crystal structure of a Methylated beta2 Adrenergic Receptor-Fab complex | | Descriptor: | Beta-2 adrenergic receptor, Fab heavy chain, Fab light chain, ... | | Authors: | Bokoch, M.P, Zou, Y, Rasmussen, S.G.F, Liu, C.W, Nygaard, R, Rosenbaum, D.M, Fung, J.J, Choi, H.-J, Thian, F.S, Kobilka, T.S, Puglisi, J.D, Weis, W.I, Pardo, L, Prosser, S, Mueller, L, Kobilka, B.K. | | Deposit date: | 2009-11-02 | | Release date: | 2010-02-16 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Ligand-specific regulation of the extracellular surface of a G-protein-coupled receptor.
Nature, 463, 2010
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4G1N
 | | PKM2 in complex with an activator | | Descriptor: | MAGNESIUM ION, N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide, OXALATE ION, ... | | Authors: | Kung, C, Hixon, J, Dang, L, DeLaBarre, B, Qian, K.C. | | Deposit date: | 2012-07-10 | | Release date: | 2012-10-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small Molecule Activation of PKM2 in Cancer Cells Induces Serine Auxotrophy.
Chem.Biol., 19, 2012
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4CK7
 | | Pseudo-atomic model of microtubule-bound human kinesin-5 motor domain in presence of adp.alfx (NECK-LINKER IN ITS DISCONNECTED CONFORMATION, based on cryo-electron microscopy experiment | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Goulet, A, Major, J, Jun, Y, Gross, S, Rosenfeld, S, Moores, C. | | Deposit date: | 2013-12-30 | | Release date: | 2014-02-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (9.2 Å) | | Cite: | Comprehensive Structural Model of the Mechanochemical Cycle of a Mitotic Motor Highlights Molecular Adaptations in the Kinesin Family.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4CK5
 | | Pseudo-atomic model of microtubule-bound human kinesin-5 motor domain in the ADP state, based on cryo-electron microscopy experiment. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Goulet, A, Major, J, Jun, Y, Gross, S, Rosenfeld, S, Moores, C. | | Deposit date: | 2013-12-30 | | Release date: | 2014-02-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (10 Å) | | Cite: | Comprehensive Structural Model of the Mechanochemical Cycle of a Mitotic Motor Highlights Molecular Adaptations in the Kinesin Family.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4CK6
 | | Pseudo-atomic model of microtubule-bound human kinesin-5 motor domain in the ADP.AlFx state, based on cryo-electron microscopy experiment. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Goulet, A, Major, J, Jun, Y, Gross, S, Rosenfeld, S, Moores, C. | | Deposit date: | 2013-12-30 | | Release date: | 2014-02-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (9.2 Å) | | Cite: | Comprehensive Structural Model of the Mechanochemical Cycle of a Mitotic Motor Highlights Molecular Adaptations in the Kinesin Family.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4JA8
 | | Complex of Mitochondrial Isocitrate Dehydrogenase R140Q Mutant with AGI-6780 Inhibitor | | Descriptor: | 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea, CALCIUM ION, GLYCEROL, ... | | Authors: | Wei, W, Chen, L, Wu, M, Jiang, F, Travins, J, Qian, K, DeLaBarre, B. | | Deposit date: | 2013-02-18 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiation.
Science, 340, 2013
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6C6P
 | | Human squalene epoxidase (SQLE, squalene monooxygenase) structure with FAD and NB-598 | | Descriptor: | (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Padyana, A.K, Jin, L. | | Deposit date: | 2018-01-19 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and inhibition mechanism of the catalytic domain of human squalene epoxidase.
Nat Commun, 10, 2019
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6C6N
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6C6R
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7M4T
 | | Menin bound to M-1121 | | Descriptor: | Menin, methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate, praseodymium triacetate | | Authors: | Stuckey, J. | | Deposit date: | 2021-03-22 | | Release date: | 2021-08-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression.
J.Med.Chem., 64, 2021
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6XXV
 | | Crystal Structure of a computationally designed Immunogen S2_1.2 in complex with its elicited antibody C57 | | Descriptor: | Antibody C57, Heavy Chain, Light Chain, ... | | Authors: | Yang, C, Sesterhenn, F, Correia, B.E, Pojer, F. | | Deposit date: | 2020-01-28 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.20116425 Å) | | Cite: | De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
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