3RY5
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4DWY
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![BU of 4dwy by Molmil](/molmil-images/mine/4dwy) | Interactions of Mn2+ with a non-self-complementary Z-type DNA duplex | Descriptor: | DNA (5'-D(*CP*AP*CP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*GP*TP*G)-3'), MANGANESE (II) ION | Authors: | Mandal, P.K, Venkadesh, S, Gautham, N. | Deposit date: | 2012-02-27 | Release date: | 2012-11-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Interactions of Mn(2+) with a non-self-complementary Z-type DNA duplex Acta Crystallogr.,Sect.F, 68, 2012
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1NT1
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![BU of 1nt1 by Molmil](/molmil-images/mine/1nt1) | thrombin in complex with selective macrocyclic inhibitor | Descriptor: | (6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE, Hirudin, thrombin | Authors: | Nantermet, P.G, Barrow, J.C, Newton, C.L, Pellicore, J.M, Young, M, Lewis, S.D, Lucas, B.J, Krueger, J.A, McMasters, D.R, Yan, Y, Kuo, L.C, Vacca, J.P, Selnick, H.G. | Deposit date: | 2003-01-28 | Release date: | 2003-09-02 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of potent and selective macrocyclic thrombin inhibitors Bioorg.Med.Chem.Lett., 13, 2003
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2YXJ
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![BU of 2yxj by Molmil](/molmil-images/mine/2yxj) | Crystal structure of Bcl-xL in complex with ABT-737 | Descriptor: | 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, Apoptosis regulator Bcl-X, CHLORIDE ION, ... | Authors: | Czabotar, P.E, Lee, E.F, Smith, B.J, Deshayes, K, Zobel, K, Fairlie, W.D, Colman, P.M. | Deposit date: | 2007-04-26 | Release date: | 2007-05-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of ABT-737 complexed with Bcl-xL: implications for selectivity of antagonists of the Bcl-2 family Cell Death Differ., 14, 2007
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8HPT
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![BU of 8hpt by Molmil](/molmil-images/mine/8hpt) | Structure of C5a-pep bound mouse C5aR1 in complex with Go | Descriptor: | Antibody fragment ScFv16, C5a anaphylatoxin chemotactic receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Saha, S, Maharana, J, Yadav, M.K, Sarma, P, Chami, M, Banerjee, R, Shukla, A.K. | Deposit date: | 2022-12-13 | Release date: | 2023-10-18 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Molecular basis of anaphylatoxin binding, activation, and signaling bias at complement receptors. Cell, 186, 2023
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8HQN
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![BU of 8hqn by Molmil](/molmil-images/mine/8hqn) | Activation mechanism of GPR132 by 9(S)-HODE | Descriptor: | (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, 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: | Wang, J.L, Ding, J.H, Sun, J.P, Yu, X. | Deposit date: | 2022-12-13 | Release date: | 2023-10-11 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Functional screening and rational design of compounds targeting GPR132 to treat diabetes. Nat Metab, 5, 2023
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7S7P
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5KCF
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![BU of 5kcf by Molmil](/molmil-images/mine/5kcf) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-methoxybenzyl OBHS-N derivative | Descriptor: | (1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-06 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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5KCT
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![BU of 5kct by Molmil](/molmil-images/mine/5kct) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-chlorobenzyl OBHS-N derivative | Descriptor: | (1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ... | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-06-07 | Release date: | 2016-11-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain. Nat. Chem. Biol., 13, 2017
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2MNF
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![BU of 2mnf by Molmil](/molmil-images/mine/2mnf) | AIK-18/51 DNA recognition sequence d(CGACTAGTCG)2 | Descriptor: | 5'-D(*CP*GP*AP*CP*TP*AP*GP*TP*CP*G)-3' | Authors: | Alniss, H.Y, Salvia, M.-V, Sadikov, M, Golovchenko, I, Anthony, N.G, Khalaf, A.I, Mackay, S.P, Suckling, C.J, Parkinson, J.A. | Deposit date: | 2014-04-03 | Release date: | 2014-07-30 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Recognition of the DNA minor groove by thiazotropsin analogues. Chembiochem, 15, 2014
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1RR2
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![BU of 1rr2 by Molmil](/molmil-images/mine/1rr2) | Propionibacterium shermanii transcarboxylase 5S subunit bound to 2-ketobutyric acid | Descriptor: | 2-KETOBUTYRIC ACID, COBALT (II) ION, transcarboxylase 5S subunit | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | Deposit date: | 2003-12-08 | Release date: | 2004-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit. Embo J., 23, 2004
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1AFT
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![BU of 1aft by Molmil](/molmil-images/mine/1aft) | SMALL SUBUNIT C-TERMINAL INHIBITORY PEPTIDE OF MOUSE RIBONUCLEOTIDE REDUCTASE AS BOUND TO THE LARGE SUBUNIT, NMR, 26 STRUCTURES | Descriptor: | RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE | Authors: | Laub, P.B, Fisher, A.L, Furst, G.T, Barwis, B.A, Hamann, C.S, Cooperman, B.S. | Deposit date: | 1997-03-13 | Release date: | 1997-05-15 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | NMR structure of an inhibitory R2 C-terminal peptide bound to mouse ribonucleotide reductase R1 subunit. Nat.Struct.Biol., 2, 1995
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1NYK
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![BU of 1nyk by Molmil](/molmil-images/mine/1nyk) | Crystal Structure of the Rieske protein from Thermus thermophilus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, Rieske iron-sulfur protein | Authors: | Hunsicker-Wang, L.M, Heine, A, Chen, Y, Luna, E.P, Todaro, T, Zhang, Y.M, Williams, P.A, McRee, D.E, Hirst, J, Stout, C.D, Fee, J.A. | Deposit date: | 2003-02-12 | Release date: | 2003-06-24 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | High resolution structure of the soluble, respiratory-type Rieske protein from Thermus thermophilus: Analysis and Comparison Biochemistry, 42, 2003
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2LZG
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![BU of 2lzg by Molmil](/molmil-images/mine/2lzg) | NMR Structure of Mdm2 (6-125) with Pip-1 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, [(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid | Authors: | Michelsen, K.B, Jordan, J.B, Lewis, J, Long, A.M, Yang, E, Rew, Y, Zhou, J, Yakowec, P, Schnier, P.D, Huang, X, Poppe, L. | Deposit date: | 2012-10-02 | Release date: | 2012-11-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Ordering of the N-Terminus of Human MDM2 by Small Molecule Inhibitors. J.Am.Chem.Soc., 134, 2012
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4DSN
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![BU of 4dsn by Molmil](/molmil-images/mine/4dsn) | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | Descriptor: | 1,2-ETHANEDIOL, GTPase KRas, isoform 2B, ... | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | Deposit date: | 2012-02-19 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc.Natl.Acad.Sci.USA, 109, 2012
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1AIP
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![BU of 1aip by Molmil](/molmil-images/mine/1aip) | EF-TU EF-TS COMPLEX FROM THERMUS THERMOPHILUS | Descriptor: | ELONGATION FACTOR TS, ELONGATION FACTOR TU | Authors: | Wang, Y, Jiang, Y, Meyering-Voss, M, Sprinzl, M, Sigler, P.B. | Deposit date: | 1997-04-22 | Release date: | 1997-10-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the EF-Tu.EF-Ts complex from Thermus thermophilus. Nat.Struct.Biol., 4, 1997
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1OJX
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![BU of 1ojx by Molmil](/molmil-images/mine/1ojx) | Crystal structure of an Archaeal fructose 1,6-bisphosphate aldolase | Descriptor: | FRUCTOSE-BISPHOSPHATE ALDOLASE CLASS I | Authors: | Lorentzen, E, Zwart, P, Stark, A, Hensel, R, Siebers, B, Pohl, E. | Deposit date: | 2003-07-16 | Release date: | 2003-09-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of an archaeal class I aldolase and the evolution of (betaalpha)8 barrel proteins. J. Biol. Chem., 278, 2003
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2IZZ
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![BU of 2izz by Molmil](/molmil-images/mine/2izz) | Crystal structure of human pyrroline-5-carboxylate reductase | Descriptor: | 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRROLINE-5-CARBOXYLATE REDUCTASE 1 | Authors: | Pike, A.C.W, Guo, K, Kavanagh, K, Pilka, E.S, Berridge, G, Colebrook, S, Bray, J, Salah, E, Savitsky, P, Papagrigoriou, E, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U. | Deposit date: | 2006-07-31 | Release date: | 2006-08-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Human Pyrroline-5-Carboxylate Reductase To be Published
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1OGY
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![BU of 1ogy by Molmil](/molmil-images/mine/1ogy) | Crystal structure of the heterodimeric nitrate reductase from Rhodobacter sphaeroides | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DIHEME CYTOCHROME C NAPB MOLECULE: NITRATE REDUCTASE, HEME C, ... | Authors: | Arnoux, P, Sabaty, M, Alric, J, Frangioni, B, Guigliarelli, B, Adriano, J.-M, Pignol, D. | Deposit date: | 2003-05-19 | Release date: | 2003-10-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural and Redox Plasticity in the Heterodimeric Periplasmic Nitrate Reductase Nat.Struct.Biol., 10, 2003
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5KGA
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![BU of 5kga by Molmil](/molmil-images/mine/5kga) | X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum, mutant D287N, in complex with N-acetylglucosamine | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, ... | Authors: | Dopkins, B.J, Thoden, J.B, Tipton, P.A, Holden, H.M. | Deposit date: | 2016-06-13 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase. Biochemistry, 55, 2016
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1QZA
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![BU of 1qza by Molmil](/molmil-images/mine/1qza) | Coordinates of the A/T site tRNA model fitted into the cryo-EM map of EF-Tu ternary complex (GDP.Kirromycin) bound 70S ribosome | Descriptor: | Phe-tRNA | Authors: | Valle, M, Zavialov, A, Li, W, Stagg, S.M, Sengupta, J, Nielsen, R.C, Nissen, P, Harvey, S.C, Ehrenberg, M, Frank, J. | Deposit date: | 2003-09-16 | Release date: | 2003-11-04 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (10 Å) | Cite: | Incorporation of Aminoacyl-tRNA into the Ribosome as seen by Cryo-electron Microscopy Nat.Struct.Biol., 10, 2003
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5KGR
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![BU of 5kgr by Molmil](/molmil-images/mine/5kgr) | Spin-Labeled T4 Lysozyme Construct I9V1/V131V1 (30 days) | Descriptor: | CHLORIDE ION, Endolysin, HEXANE-1,6-DIOL, ... | Authors: | Balo, A.R, Feyrer, H, Ernst, O.P. | Deposit date: | 2016-06-13 | Release date: | 2017-02-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.473 Å) | Cite: | Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains. Biochemistry, 55, 2016
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1A7D
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1WTR
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![BU of 1wtr by Molmil](/molmil-images/mine/1wtr) | Hyperthermophile chromosomal protein SAC7D single mutant M29A in complex with DNA GCGATCGC | Descriptor: | 5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3', DNA-binding proteins 7a/7b/7d | Authors: | Chen, C.-Y, Ko, T.-P, Lin, T.-W, Chou, C.-C, Chen, C.-J, Wang, A.H.-J. | Deposit date: | 2004-11-29 | Release date: | 2005-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Probing the DNA kink structure induced by the hyperthermophilic chromosomal protein Sac7d NUCLEIC ACIDS RES., 33, 2005
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8HQE
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![BU of 8hqe by Molmil](/molmil-images/mine/8hqe) | Cryo-EM structure of the apo-GPR132-Gi | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Wang, J.L, Ding, J.H, Sun, J.P, Yu, X. | Deposit date: | 2022-12-13 | Release date: | 2023-10-11 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Functional screening and rational design of compounds targeting GPR132 to treat diabetes. Nat Metab, 5, 2023
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