8R5Z
 
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8R5X
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8R5Y
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1B2M
 | | THREE-DIMENSIONAL STRUCTURE OF RIBONULCEASE T1 COMPLEXED WITH AN ISOSTERIC PHOSPHONATE ANALOGUE OF GPU: ALTERNATE SUBSTRATE BINDING MODES AND CATALYSIS. | | Descriptor: | 5'-R(*GP*(U34))-3', RIBONUCLEASE T1 | | Authors: | Arni, R.K, Watanabe, L, Ward, R.J, Kreitman, R.J, Kumar, K, Walz Jr, F.G. | | Deposit date: | 1998-11-27 | | Release date: | 1999-03-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-dimensional structure of ribonuclease T1 complexed with an isosteric phosphonate substrate analogue of GpU: alternate substrate binding modes and catalysis.
Biochemistry, 38, 1999
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4ZIH
 | | Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini | | Descriptor: | Apoptosis regulator BAX, Bcl-2-like protein 11 | | Authors: | Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2015-04-28 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
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4ZIE
 | | Crystal Structure of core/latch dimer of Bax in complex with BimBH3 | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2-like protein 11 | | Authors: | Krishna Kumar, K, Robin, A.Y, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2015-04-28 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
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4ZIF
 | | Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini | | Descriptor: | Apoptosis regulator BAX, Bcl-2-like protein 11 | | Authors: | Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2015-04-28 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
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4ZII
 | | Crystal Structure of core/latch dimer of BaxI66A in complex with BidBH3 | | Descriptor: | 1,2-ETHANEDIOL, Apoptosis regulator BAX, BH3-interacting domain death agonist | | Authors: | Czabotar, P.E, Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M. | | Deposit date: | 2015-04-28 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.191 Å) | | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
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4ZIG
 | | Crystal Structure of core/latch dimer of Bax in complex with BidBH3mini | | Descriptor: | Apoptosis regulator BAX, BH3-interacting domain death agonist | | Authors: | Robin, A.Y, Krishna Kumar, K, Westphal, D, Wardak, A.Z, Thompson, G.V, Dewson, G, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2015-04-28 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction.
Cell Death Dis, 6, 2015
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8FU6
 | | GCGR-Gs complex in the presence of RAMP2 | | Descriptor: | Glucagon derivative ZP3780, Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Krishna Kumar, K, O'Brien, E.S, Wang, H, Montabana, E, Kobilka, B.K. | | Deposit date: | 2023-01-16 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Negative allosteric modulation of the glucagon receptor by RAMP2.
Cell, 186, 2023
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8GHV
 | | Cannabinoid Receptor 1-G Protein Complex | | Descriptor: | (5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Krishna Kumar, K, Robertson, M.J, Skiniotis, G, Kobilka, B.K. | | Deposit date: | 2023-03-12 | | Release date: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis for activation of CB1 by an endocannabinoid analog.
Nat Commun, 14, 2023
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3OVU
 | | Crystal Structure of Human Alpha-Haemoglobin Complexed with AHSP and the First NEAT Domain of IsdH from Staphylococcus aureus | | Descriptor: | Alpha-hemoglobin-stabilizing protein, Hemoglobin subunit alpha, Iron-regulated surface determinant protein H, ... | | Authors: | Jacques, D.A, Krishna Kumar, K, Caradoc-Davies, T.T, Langley, D.B, Mackay, J.P, Guss, J.M, Gell, D.A. | | Deposit date: | 2010-09-17 | | Release date: | 2011-09-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | A new haem pocket structure in alpha-haemoglobin
To be Published
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4FC3
 | | Crystal Structure of Human Methaemoglobin Complexed with the Second NEAT Domain of IsdH from Staphylococcus aureus | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, Iron-regulated surface determinant protein H, ... | | Authors: | Krishna Kumar, K, Jacques, D.A, Guss, J.M, Gell, D.A. | | Deposit date: | 2012-05-24 | | Release date: | 2013-05-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure of the Hemoglobin-IsdH Complex Reveals the Molecular Basis of Iron Capture by Staphylococcus aureus
J.Biol.Chem., 289, 2014
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8GAG
 | | Cannabinoid receptor 1-Gi complex with novel ligand | | Descriptor: | Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Tummino, T.A, Iliopoulos-Tsoutsouvas, C, Braz, J.M, O'Brien, E.S, Krishna Kumar, K, Makriyannis, M, Basbaum, A.I, Shoichet, B.K. | | Deposit date: | 2023-02-22 | | Release date: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cannabinoid receptor 1-Gi complex with novel ligand
To Be Published
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6N4B
 | | Cannabinoid Receptor 1-G Protein Complex | | Descriptor: | CHOLESTEROL, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Krishna Kumar, K, Shalev-Benami, M, Hu, H, Weis, W.I, Kobilka, B.K, Skiniotis, G. | | Deposit date: | 2018-11-18 | | Release date: | 2019-01-30 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of a Signaling Cannabinoid Receptor 1-G Protein Complex.
Cell, 176, 2019
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2BEX
 | | Crystal structure of Placental Ribonuclease Inhibitor in complex with Human Eosinophil Derived Neurotoxin at 2A resolution | | Descriptor: | ALPHA-KETOMALONIC ACID, GLYCEROL, NONSECRETORY RIBONUCLEASE, ... | | Authors: | Iyer, S, Holloway, D.E, Kumar, K, Shapiro, R, Acharya, K.R. | | Deposit date: | 2004-12-01 | | Release date: | 2005-03-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Molecular Recognition of Human Eosinophil-Derived Neurotoxin (Rnase 2) by Placental Ribonuclease Inhibitor
J.Mol.Biol., 347, 2005
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6FOP
 | | Glycoside hydrolase family 81 from Clostridium thermocellum (CtLam81A), Mutant E515A | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Correia, M.A.S.C, Carvalho, A.L. | | Deposit date: | 2018-02-08 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Novel insights into the degradation of beta-1,3-glucans by the cellulosome of Clostridium thermocellum revealed by structure and function studies of a family 81 glycoside hydrolase.
Int.J.Biol.Macromol., 117, 2018
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6UWY
 | | DYRK1A bound to a harmine derivative | | Descriptor: | 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL | | Authors: | Khamrui, S, Lazarus, M.B. | | Deposit date: | 2019-11-05 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human beta-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor.
J.Med.Chem., 63, 2020
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8ABX
 | | Crystal structure of IDO1 in complex with Apoxidole-1 | | Descriptor: | Indoleamine 2,3-dioxygenase 1, O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate, O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate, ... | | Authors: | Dotsch, L, Ziegler, S, Waldmann, H, Gasper, R. | | Deposit date: | 2022-07-05 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification of a Novel Pseudo-Natural Product Type IV IDO1 Inhibitor Chemotype.
Angew.Chem.Int.Ed.Engl., 61, 2022
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8T6J
 | | CDPPB-bound inactive mGlu5 | | Descriptor: | 3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide, Metabotropic glutamate receptor 5 | | Authors: | Krishna Kumar, K, Wang, H, Kobilka, B.K. | | Deposit date: | 2023-06-16 | | Release date: | 2023-10-11 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Step-wise activation of a Family C GPCR.
Biorxiv, 2023
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8TAO
 | | Quis and CDPPB bound active mGlu5 | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide, Metabotropic glutamate receptor 5, ... | | Authors: | Krishna Kumar, K, Wang, H, Kobilka, B.K. | | Deposit date: | 2023-06-27 | | Release date: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Step-wise activation of a Family C GPCR.
Biorxiv, 2023
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8T8M
 | | Quis-bound intermediate mGlu5 | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Metabotropic glutamate receptor 5, Nb43 | | Authors: | Krishna Kumar, K, Wang, H, Kobilka, B.K. | | Deposit date: | 2023-06-22 | | Release date: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Step-wise activation of a Family C GPCR.
Biorxiv, 2023
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8T7H
 | | Quis-bound intermediate mGlu5 | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, Metabotropic glutamate receptor 5, Nanobody 43 | | Authors: | Krishna Kumar, K, Wang, H, Kobilka, B.K. | | Deposit date: | 2023-06-20 | | Release date: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Step-wise activation of a Family C GPCR.
Biorxiv, 2023
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4QCE
 | | Crystal structure of recombinant alkali thermostable GH10 xylanase from Bacillus sp. NG-27 | | Descriptor: | Alkaline thermostable endoxylanase, MAGNESIUM ION, SODIUM ION | | Authors: | Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S. | | Deposit date: | 2014-05-11 | | Release date: | 2015-05-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Structural insights into N-terminal to C-terminal interactions and implications for thermostability of a (beta/alpha)8-triosephosphate isomerase barrel enzyme
Febs J., 282, 2015
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4QCF
 | | Crystal structure of N-terminal mutant (V1A) of an alkali thermostable GH10 xylanase from Bacillus sp. NG-27 | | Descriptor: | Alkaline thermostable endoxylanase, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Mahanta, P, Bhardwaj, A, Reddy, V.S, Ramakumar, S. | | Deposit date: | 2014-05-11 | | Release date: | 2015-05-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural insights into N-terminal to C-terminal interactions and implications for thermostability of a (beta/alpha)8-triosephosphate isomerase barrel enzyme
Febs J., 282, 2015
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