4RWO
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![BU of 4rwo by Molmil](/molmil-images/mine/4rwo) | Crystal structure of the porcine OAS1 L149R mutant in complex with dsRNA and ApCpp in the AMP donor position | Descriptor: | 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. Structure, 23, 2015
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5HI0
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![BU of 5hi0 by Molmil](/molmil-images/mine/5hi0) | The Substrate Binding Mode and Chemical Basis of a Reaction Specificity Switch in Oxalate Decarboxylase | Descriptor: | COBALT (II) ION, OXALATE ION, Oxalate decarboxylase OxdC, ... | Authors: | Zhu, W, Easthon, L.M, Reinhardt, L.A, Tu, C, Cohen, S.E, Silverman, D.N, Allen, K.N, Richards, N.G.J. | Deposit date: | 2016-01-11 | Release date: | 2016-04-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Substrate Binding Mode and Molecular Basis of a Specificity Switch in Oxalate Decarboxylase. Biochemistry, 55, 2016
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1MS6
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![BU of 1ms6 by Molmil](/molmil-images/mine/1ms6) | Dipeptide Nitrile Inhibitor Bound to Cathepsin S. | Descriptor: | Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE | Authors: | Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M. | Deposit date: | 2002-09-19 | Release date: | 2003-04-22 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors J.Med.Chem., 45, 2002
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2LIU
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![BU of 2liu by Molmil](/molmil-images/mine/2liu) | NMR structure of holo-ACPI domain from CurA module from Lyngbya majuscula | Descriptor: | CurA | Authors: | Busche, A.E, Gottstein, D, Hein, C, Ripin, N, Pader, I, Tufar, P, Eisman, E.B, Gu, L, Walsh, C.T, Loehr, F, Sherman, D.H, Guntert, P, Dotsch, V. | Deposit date: | 2011-09-01 | Release date: | 2011-12-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Characterization of Molecular Interactions between ACP and Halogenase Domains in the Curacin A Polyketide Synthase. Acs Chem.Biol., 7, 2012
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1NCG
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![BU of 1ncg by Molmil](/molmil-images/mine/1ncg) | STRUCTURAL BASIS OF CELL-CELL ADHESION BY CADHERINS | Descriptor: | N-CADHERIN, YTTERBIUM (III) ION | Authors: | Shapiro, L, Fannon, A.M, Kwong, P.D, Thompson, A, Lehmann, M.S, Grubel, G, Legrand, J.-F, Als-Nielsen, J, Colman, D.R, Hendrickson, W.A. | Deposit date: | 1995-03-23 | Release date: | 1995-07-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of cell-cell adhesion by cadherins. Nature, 374, 1995
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1NCI
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![BU of 1nci by Molmil](/molmil-images/mine/1nci) | STRUCTURAL BASIS OF CELL-CELL ADHESION BY CADHERINS | Descriptor: | N-CADHERIN, URANYL (VI) ION | Authors: | Shapiro, L, Fannon, A.M, Kwong, P.D, Thompson, A, Lehmann, M.S, Grubel, G, Legrand, J.-F, Als-Nielsen, J, Colman, D.R, Hendrickson, W.A. | Deposit date: | 1995-03-23 | Release date: | 1995-07-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of cell-cell adhesion by cadherins. Nature, 374, 1995
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8EPW
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![BU of 8epw by Molmil](/molmil-images/mine/8epw) | Crystal Structure of KRAS4b-G13D (GMPPNP-bound) in complex with RAS-binding domain (RBD) of RAF1/CRAF | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Tran, T.H, Chan, A.H, Dharmaiah, S, Simanshu, D.K. | Deposit date: | 2022-10-06 | Release date: | 2023-06-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reduced dynamic complexity allows structure elucidation of an excited state of KRAS G13D . Commun Biol, 6, 2023
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5I4E
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![BU of 5i4e by Molmil](/molmil-images/mine/5i4e) | Crystal Structure of Human Nonmuscle Myosin 2C motor domain | Descriptor: | ADP ORTHOVANADATE, MAGNESIUM ION, Myosin-14,Alpha-actinin A | Authors: | Chinthalapudi, K, Heissler, S.M, Preller, M, Sellers, J.R, Manstein, D.J. | Deposit date: | 2016-02-11 | Release date: | 2017-09-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanistic insights into the active site and allosteric communication pathways in human nonmuscle myosin-2C. Elife, 6, 2017
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8F1F
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![BU of 8f1f by Molmil](/molmil-images/mine/8f1f) | Structure of K48-linked tri-ubiquitin in complex with cyclic peptide | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Non-proteinogenic cyclic peptide (inhibitor), ... | Authors: | Lubkowski, J, Fushman, D, Lemma, B. | Deposit date: | 2022-11-05 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mechanism of selective recognition of Lys48-linked polyubiquitin by macrocyclic peptide inhibitors of proteasomal degradation. Nat Commun, 14, 2023
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6XAK
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![BU of 6xak by Molmil](/molmil-images/mine/6xak) | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) and cyclo-(L-Trp-L-Trp) | Descriptor: | (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione, (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, ... | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.479 Å) | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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6XAM
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![BU of 6xam by Molmil](/molmil-images/mine/6xam) | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-homoalanine) | Descriptor: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione, 1,2-ETHANEDIOL, NzeB, ... | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.481 Å) | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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6XAL
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![BU of 6xal by Molmil](/molmil-images/mine/6xal) | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Val) | Descriptor: | (3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione, NzeB, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-04 | Release date: | 2021-06-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.349 Å) | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase. J.Am.Chem.Soc., 142, 2020
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5IFR
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![BU of 5ifr by Molmil](/molmil-images/mine/5ifr) | Structure of the stable UBE2D3-UbDha conjugate | Descriptor: | GLYCEROL, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D3 | Authors: | Pruneda, J.N, Mulder, M.P.C, Witting, K, Ovaa, H, Komander, D. | Deposit date: | 2016-02-26 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A cascading activity-based probe sequentially targets E1-E2-E3 ubiquitin enzymes. Nat.Chem.Biol., 12, 2016
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5W7P
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![BU of 5w7p by Molmil](/molmil-images/mine/5w7p) | Crystal structure of OxaC | Descriptor: | OxaC, S-ADENOSYLMETHIONINE | Authors: | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | Deposit date: | 2017-06-20 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway. Org. Biomol. Chem., 16, 2018
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1Z64
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![BU of 1z64 by Molmil](/molmil-images/mine/1z64) | NMR Solution Structure of Pleurocidin in DPC Micelles | Descriptor: | Pleruocidin | Authors: | Syvitski, R.T, Burton, I, Mattatall, N.R, Douglas, S.E, Jakeman, D.L. | Deposit date: | 2005-03-21 | Release date: | 2005-04-12 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Structural characterization of the antimicrobial peptide pleurocidin from winter flounder. Biochemistry, 44, 2005
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2YCB
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![BU of 2ycb by Molmil](/molmil-images/mine/2ycb) | Structure of the archaeal beta-CASP protein with N-terminal KH domains from Methanothermobacter thermautotrophicus | Descriptor: | CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Silva, A.P.G, Chechik, M, Byrne, R.T, Waterman, D.G, Ng, C.L, Dodson, E.J, Koonin, E.V, Antson, A.A, Smits, C. | Deposit date: | 2011-03-13 | Release date: | 2011-05-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure and Activity of a Novel Archaeal Beta-Casp Protein with N-Terminal Kh Domains. Structure, 19, 2011
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5JLH
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![BU of 5jlh by Molmil](/molmil-images/mine/5jlh) | Cryo-EM structure of a human cytoplasmic actomyosin complex at near-atomic resolution | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 2, ... | Authors: | von der Ecken, J, Heissler, S.M, Pathan-Chhatbar, S, Manstein, D.J, Raunser, S. | Deposit date: | 2016-04-27 | Release date: | 2016-06-15 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of a human cytoplasmic actomyosin complex at near-atomic resolution. Nature, 534, 2016
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2YKN
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![BU of 2ykn by Molmil](/molmil-images/mine/2ykn) | Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI) | Descriptor: | 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | Authors: | Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D. | Deposit date: | 2011-05-28 | Release date: | 2011-08-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors. J.Med.Chem., 54, 2011
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8D9N
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![BU of 8d9n by Molmil](/molmil-images/mine/8d9n) | CryoEM structures of bAE1 captured in multiple states. | Descriptor: | Anion exchange protein | Authors: | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | Deposit date: | 2022-06-10 | Release date: | 2023-01-25 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations. Commun Biol, 5, 2022
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5WPU
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![BU of 5wpu by Molmil](/molmil-images/mine/5wpu) | Crystal structure HpiC1 Y101S | Descriptor: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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1NCH
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![BU of 1nch by Molmil](/molmil-images/mine/1nch) | STRUCTURAL BASIS OF CELL-CELL ADHESION BY CADHERINS | Descriptor: | N-CADHERIN, YTTERBIUM (III) ION | Authors: | Shapiro, L, Fannon, A.M, Kwong, P.D, Thompson, A, Lehmann, M.S, Grubel, G, Legrand, J.-F, Als-Nielsen, J, Colman, D.R, Hendrickson, W.A. | Deposit date: | 1995-03-23 | Release date: | 1995-07-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of cell-cell adhesion by cadherins. Nature, 374, 1995
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1ODO
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![BU of 1odo by Molmil](/molmil-images/mine/1odo) | 1.85 A structure of CYP154A1 from Streptomyces coelicolor A3(2) | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 154A1 | Authors: | Podust, L.M, Kim, Y, Arase, M, Bach, H, Sherman, D.H, Lamb, D.C, Kelly, S.L, Waterman, M.R. | Deposit date: | 2003-02-19 | Release date: | 2004-01-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Comparison of the 1.85 A Structure of Cyp154A1 from Streptomyces Coelicolor A3(2) with the Closely Related Cyp154C1 and Cyps from Antibiotic Biosynthetic Pathways. Protein Sci., 13, 2004
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5J7X
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![BU of 5j7x by Molmil](/molmil-images/mine/5j7x) | Baeyer-Villiger monooxygenase BVMOAFL838 from Aspergillus flavus | Descriptor: | Dimethylaniline monooxygenase, putative, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Ferroni, F.M, Tolmie, C, Smit, M.S, Opperman, D.J. | Deposit date: | 2016-04-07 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Catalytic Characterization of a Fungal Baeyer-Villiger Monooxygenase. Plos One, 11, 2016
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2Y9E
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![BU of 2y9e by Molmil](/molmil-images/mine/2y9e) | Structural basis for the allosteric interference of myosin function by mutants G680A and G680V of Dictyostelium myosin-2 | Descriptor: | MYOSIN-2 | Authors: | Preller, M, Bauer, S, Adamek, N, Fujita-Becker, S, Fedorov, R, Geeves, M.A, Manstein, D.J. | Deposit date: | 2011-02-14 | Release date: | 2011-07-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.397 Å) | Cite: | Structural Basis for the Allosteric Interference of Myosin Function by Reactive Thiol Region Mutations G680A and G680V. J.Biol.Chem., 286, 2011
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1AJE
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![BU of 1aje by Molmil](/molmil-images/mine/1aje) | CDC42 FROM HUMAN, NMR, 20 STRUCTURES | Descriptor: | CDC42HS | Authors: | Feltham, J.L, Dotsch, V, Raza, S, Manor, D, Cerione, R.A, Sutcliffe, M.J, Wagner, G, Oswald, R.E. | Deposit date: | 1997-05-02 | Release date: | 1997-11-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Definition of the switch surface in the solution structure of Cdc42Hs. Biochemistry, 36, 1997
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