1GMY
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![BU of 1gmy by Molmil](/molmil-images/mine/1gmy) | Cathepsin B complexed with dipeptidyl nitrile inhibitor | Descriptor: | 2-AMINOETHANIMIDIC ACID, 3-METHYLPHENYLALANINE, CATHEPSIN B, ... | Authors: | Greenspan, P.D, Clark, K.L, Tommasi, R.A, Cowen, S.D, McQuire, L.W, Farley, D.L, van Duzer, J.H, Goldberg, R.L, Zhou, H, Du, Z, Fitt, J.J, Coppa, D.E, Fang, Z, Macchia, W, Zhu, L, Capparelli, M.P, Goldstein, R, Wigg, A.M, Doughty, J.R, Bohacek, R.S, Knap, A.K. | Deposit date: | 2001-09-25 | Release date: | 2002-09-19 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification of Dipeptidyl Nitriles as Potent and Selective Inhibitors of Cathepsin B Through Structure-Based Drug Design J.Med.Chem., 44, 2001
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1HOV
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![BU of 1hov by Molmil](/molmil-images/mine/1hov) | SOLUTION STRUCTURE OF A CATALYTIC DOMAIN OF MMP-2 COMPLEXED WITH SC-74020 | Descriptor: | CALCIUM ION, MATRIX METALLOPROTEINASE-2, N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE, ... | Authors: | Feng, Y, Likos, J.J, Zhu, L, Woodward, H, Munie, G, McDonald, J.J, Stevens, A.M, Howard, C.P, De Crescenzo, G.A, Welsch, D, Shieh, H.-S, Stallings, W.C. | Deposit date: | 2000-12-11 | Release date: | 2001-12-12 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of the catalytic domain of matrix metalloproteinase-2 complexed with a hydroxamic acid inhibitor Biochim.Biophys.Acta, 1598, 2002
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7TD4
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![BU of 7td4 by Molmil](/molmil-images/mine/7td4) | Sphingosine-1-phosphate receptor 1-Gi complex bound to Siponimod | Descriptor: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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7TD0
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![BU of 7td0 by Molmil](/molmil-images/mine/7td0) | Lysophosphatidic acid receptor 1-Gi complex bound to LPA | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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7TD3
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![BU of 7td3 by Molmil](/molmil-images/mine/7td3) | Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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7TD2
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![BU of 7td2 by Molmil](/molmil-images/mine/7td2) | Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.11 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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7TD1
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![BU of 7td1 by Molmil](/molmil-images/mine/7td1) | Lysophosphatidic acid receptor 1-Gi complex bound to LPA, state a | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 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: | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | Deposit date: | 2021-12-30 | Release date: | 2022-02-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate. Nat Commun, 13, 2022
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3VPN
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![BU of 3vpn by Molmil](/molmil-images/mine/3vpn) | Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant | Descriptor: | FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2 | Authors: | Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J. | Deposit date: | 2012-03-05 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Essential role of E106 in the proton-coupled electron transfer in human to be published
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3VPM
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![BU of 3vpm by Molmil](/molmil-images/mine/3vpm) | Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant | Descriptor: | FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2 | Authors: | Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J. | Deposit date: | 2012-03-05 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Essential role of E106 in the proton-coupled electron transfer in human ribonucleotide reductase M2 subunit To be Published
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3VPO
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![BU of 3vpo by Molmil](/molmil-images/mine/3vpo) | Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant | Descriptor: | FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2 | Authors: | Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J. | Deposit date: | 2012-03-05 | Release date: | 2013-03-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Essential role of E106 in the proton-coupled electron transfer in human to be published
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6DCG
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![BU of 6dcg by Molmil](/molmil-images/mine/6dcg) | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | Deposit date: | 2018-05-06 | Release date: | 2018-08-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9, 2018
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6LPC
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![BU of 6lpc by Molmil](/molmil-images/mine/6lpc) | Crystal Structure of rat Munc18-1 with K332E/K333E mutation | Descriptor: | Syntaxin-binding protein 1 | Authors: | Wang, X.P, Gong, J.H, Wang, S, Zhu, L, Yang, X.Y, Xu, Y.Y, Yang, X.F, Ma, C. | Deposit date: | 2020-01-09 | Release date: | 2020-07-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.402 Å) | Cite: | Munc13 activates the Munc18-1/syntaxin-1 complex and enables Munc18-1 to prime SNARE assembly. Embo J., 39, 2020
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6ME2
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![BU of 6me2 by Molmil](/molmil-images/mine/6me2) | XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ... | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | Deposit date: | 2018-09-05 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor. Nature, 569, 2019
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6VJQ
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![BU of 6vjq by Molmil](/molmil-images/mine/6vjq) | |
6VLJ
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![BU of 6vlj by Molmil](/molmil-images/mine/6vlj) | |
6VGT
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![BU of 6vgt by Molmil](/molmil-images/mine/6vgt) | |
6VE9
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![BU of 6ve9 by Molmil](/molmil-images/mine/6ve9) | |
6PQ0
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![BU of 6pq0 by Molmil](/molmil-images/mine/6pq0) | LCP-embedded Proteinase K treated with MPD | Descriptor: | CALCIUM ION, Proteinase K | Authors: | Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L. | Deposit date: | 2019-07-08 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | ELECTRON CRYSTALLOGRAPHY (2 Å) | Cite: | Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED. Structure, 28, 2020
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6PQ4
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![BU of 6pq4 by Molmil](/molmil-images/mine/6pq4) | LCP-embedded Proteinase K treated with lipase | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Bu, G, Zhu, L, Jing, L, Shi, D, Gonen, T, Liu, W, Nannenga, B.L. | Deposit date: | 2019-07-08 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | ELECTRON CRYSTALLOGRAPHY (2 Å) | Cite: | Structure Determination from Lipidic Cubic Phase Embedded Microcrystals by MicroED. Structure, 28, 2020
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4LEP
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![BU of 4lep by Molmil](/molmil-images/mine/4lep) | Structural insights into substrate recognition in proton dependent oligopeptide transporters | Descriptor: | N-[(1R)-1-phosphonoethyl]-L-alaninamide, Proton:oligopeptide symporter POT family, ZINC ION | Authors: | Guettou, F, Quistgaard, E.M, Tresaugues, L, Moberg, P, Jegerschold, C, Zhu, L, Jong, A.J, Nordlund, P, Low, C. | Deposit date: | 2013-06-26 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural insights into substrate recognition in proton-dependent oligopeptide transporters. Embo Rep., 14, 2013
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8CWX
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![BU of 8cwx by Molmil](/molmil-images/mine/8cwx) | |
103D
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![BU of 103d by Molmil](/molmil-images/mine/103d) | |
169D
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![BU of 169d by Molmil](/molmil-images/mine/169d) | THE SOLUTION STRUCTURE OF THE R(GCG)D(TATACCC):D(GGGTATACGC) OKAZAKI FRAGMENT CONTAINS TWO DISTINCT DUPLEX MORPHOLOGIES CONNECTED BY A JUNCTION | Descriptor: | DNA (5'-D(*GP*GP*GP*TP*AP*TP*AP*CP*GP*C)-3'), DNA/RNA (5'-R(*GP*CP*G)-D(P*TP*AP*TP*AP*CP*CP*C)-3') | Authors: | Salazar, M, Fedoroff, O.Y, Zhu, L, Reid, B.R. | Deposit date: | 1994-04-11 | Release date: | 1994-07-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of the r(gcg)d(TATACCC):d(GGGTATACGC) Okazaki fragment contains two distinct duplex morphologies connected by a junction. J.Mol.Biol., 241, 1994
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7JVF
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![BU of 7jvf by Molmil](/molmil-images/mine/7jvf) | |
1BJH
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![BU of 1bjh by Molmil](/molmil-images/mine/1bjh) | HAIRPIN LOOPS CONSISTING OF SINGLE ADENINE RESIDUES CLOSED BY SHEARED A(DOT)A AND G(DOT)G PAIRS FORMED BY THE DNA TRIPLETS AAA AND GAG: SOLUTION STRUCTURE OF THE D(GTACAAAGTAC) HAIRPIN, NMR, 16 STRUCTURES | Descriptor: | DNA (5'-D(*GP*TP*AP*CP*AP*AP*AP*GP*TP*AP*C)-3') | Authors: | Chou, S.-H, Zhu, L, Gao, Z, Cheng, J.-W, Reid, B.R. | Deposit date: | 1997-07-25 | Release date: | 1997-12-03 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Hairpin loops consisting of single adenine residues closed by sheared A.A and G.G pairs formed by the DNA triplets AAA and GAG: solution structure of the d(GTACAAAGTAC) hairpin. J.Mol.Biol., 264, 1996
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