5IEX
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![BU of 5iex by Molmil](/molmil-images/mine/5iex) | Crystal structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-hydroxy-1-methylpropyl]oxy}- pyrimidin-2-yl)amino]phenyl}-S-cyclopropylsulfoximide bound to CDK2 | Descriptor: | (2R,3R)-3-[(5-bromo-2-{[4-(S-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol, Cyclin-dependent kinase 2 | Authors: | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | Deposit date: | 2016-02-25 | Release date: | 2016-04-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9. Acs Chem.Biol., 11, 2016
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5IOJ
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5I1C
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![BU of 5i1c by Molmil](/molmil-images/mine/5i1c) | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV3-20 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FAB HEAVY CHAIN, ... | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | Deposit date: | 2016-02-05 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural diversity in a human antibody germline library. Mabs, 8, 2016
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1VCB
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![BU of 1vcb by Molmil](/molmil-images/mine/1vcb) | THE VHL-ELONGINC-ELONGINB STRUCTURE | Descriptor: | PROTEIN (ELONGIN B), PROTEIN (ELONGIN C), PROTEIN (VHL) | Authors: | Stebbins, C.E, Kaelin, W.G, Pavletich, N.P. | Deposit date: | 1999-03-13 | Release date: | 1999-04-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of the VHL-ElonginC-ElonginB complex: implications for VHL tumor suppressor function. Science, 284, 1999
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1LLO
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![BU of 1llo by Molmil](/molmil-images/mine/1llo) | HEVAMINE A (A PLANT ENDOCHITINASE/LYSOZYME) COMPLEXED WITH ALLOSAMIDIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, Hevamine-A | Authors: | Terwisscha Van Scheltinga, A.C, Armand, S, Kalk, K.H, Isogai, A, Henrissat, B, Dijkstra, B.W. | Deposit date: | 1995-11-08 | Release date: | 1996-03-08 | Last modified: | 2022-06-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Stereochemistry of chitin hydrolysis by a plant chitinase/lysozyme and X-ray structure of a complex with allosamidin: evidence for substrate assisted catalysis. Biochemistry, 34, 1995
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5I09
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5I1A
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![BU of 5i1a by Molmil](/molmil-images/mine/5i1a) | CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV3-11 | Descriptor: | ACETATE ION, CNTO388 HEAVY CHAIN, CNTO388 LIGHT CHAIN, ... | Authors: | Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G. | Deposit date: | 2016-02-05 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural diversity in a human antibody germline library. Mabs, 8, 2016
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1V73
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![BU of 1v73 by Molmil](/molmil-images/mine/1v73) | Crystal Structure of Cold-Active Protein-Tyrosine Phosphatase of a Psychrophile Shewanella SP. | Descriptor: | ACETIC ACID, CALCIUM ION, psychrophilic phosphatase I | Authors: | Tsuruta, H, Mikami, B, Aizono, Y. | Deposit date: | 2003-12-09 | Release date: | 2005-03-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Crystal Structure of Cold-Active Protein-Tyrosine Phosphatase from a Psychrophile, Shewanella sp J.Biochem.(Tokyo), 137, 2005
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5I7H
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![BU of 5i7h by Molmil](/molmil-images/mine/5i7h) | Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 6 [3-(3-(4-Bromophenyl)ureido)benzoic acid] | Descriptor: | 3-{[(4-bromophenyl)carbamoyl]amino}benzoic acid, CHLORIDE ION, O-phosphoserine sulfhydrylase, ... | Authors: | Schnell, R, Maric, S, Schneider, G. | Deposit date: | 2016-02-17 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis. J.Med.Chem., 59, 2016
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1LTH
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5IAA
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![BU of 5iaa by Molmil](/molmil-images/mine/5iaa) | Crystal structure of human UBA5 in complex with UFM1 | Descriptor: | Ubiquitin-fold modifier 1, Ubiquitin-like modifier-activating enzyme 5, ZINC ION | Authors: | Oweis, W, Padala, P, Wiener, R. | Deposit date: | 2016-02-21 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Trans-Binding Mechanism of Ubiquitin-like Protein Activation Revealed by a UBA5-UFM1 Complex. Cell Rep, 16, 2016
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1V4V
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1KCD
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![BU of 1kcd by Molmil](/molmil-images/mine/1kcd) | Endopolygalacturonase I from Stereum purpureum complexed with two galacturonate at 1.15 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ... | Authors: | Shimizu, T, Nakatsu, T, Miyairi, K, Okuno, T, Kato, H. | Deposit date: | 2001-11-08 | Release date: | 2002-06-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Active-site architecture of endopolygalacturonase I from Stereum purpureum revealed by crystal structures in native and ligand-bound forms at atomic resolution. Biochemistry, 41, 2002
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1KCC
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![BU of 1kcc by Molmil](/molmil-images/mine/1kcc) | Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ... | Authors: | Shimizu, T, Nakatsu, T, Miyairi, K, Okuno, T, Kato, H. | Deposit date: | 2001-11-08 | Release date: | 2002-06-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Active-site architecture of endopolygalacturonase I from Stereum purpureum revealed by crystal structures in native and ligand-bound forms at atomic resolution. Biochemistry, 41, 2002
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1KRQ
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![BU of 1krq by Molmil](/molmil-images/mine/1krq) | CRYSTAL STRUCTURE ANALYSIS OF CAMPYLOBACTER JEJUNI FERRITIN | Descriptor: | ferritin | Authors: | Hortolan, L, Saintout, N, Granier, G, Langlois d'Estaintot, B, Manigand, C, Mizunoe, Y, Wai, S.N, Gallois, B, Precigoux, G. | Deposit date: | 2002-01-10 | Release date: | 2002-02-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | STRUCTURE OF CAMPYLOBACTER JEJUNI FERRITIN AT 2.7 A RESOLUTION To be Published
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5KUT
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![BU of 5kut by Molmil](/molmil-images/mine/5kut) | hMiro2 C-terminal GTPase domain, GDP-bound | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mitochondrial Rho GTPase 2 | Authors: | Klosowiak, J.L, Focia, P.J, Rice, S.E, Freymann, D.M. | Deposit date: | 2016-07-13 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | Structural insights into Parkin substrate lysine targeting from minimal Miro substrates. Sci Rep, 6, 2016
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5KOW
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![BU of 5kow by Molmil](/molmil-images/mine/5kow) | Structure of rifampicin monooxygenase | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pentachlorophenol 4-monooxygenase | Authors: | Tanner, J.J, Liu, L.-K. | Deposit date: | 2016-07-01 | Release date: | 2016-09-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structure of the Antibiotic Deactivating, N-hydroxylating Rifampicin Monooxygenase. J.Biol.Chem., 291, 2016
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5KIR
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![BU of 5kir by Molmil](/molmil-images/mine/5kir) | The Structure of Vioxx Bound to Human COX-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, GLYCEROL, ... | Authors: | Orlando, B.J, Malkowski, M.G. | Deposit date: | 2016-06-16 | Release date: | 2016-09-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.697 Å) | Cite: | Crystal structure of rofecoxib bound to human cyclooxygenase-2. Acta Crystallogr.,Sect.F, 72, 2016
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5KKC
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![BU of 5kkc by Molmil](/molmil-images/mine/5kkc) | l-lactate dehydrogenase from rabbit muscle with the inhibitor 6DHNAD | Descriptor: | L-lactate dehydrogenase A chain, SULFATE ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(5-aminocarbonyl-2~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Meneely, K.M, Moran, G.R, Lamb, A.L. | Deposit date: | 2016-06-21 | Release date: | 2016-11-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.859 Å) | Cite: | Ligand binding phenomena that pertain to the metabolic function of renalase. Arch.Biochem.Biophys., 612, 2016
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1ULQ
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![BU of 1ulq by Molmil](/molmil-images/mine/1ulq) | Crystal structure of tt0182 from Thermus thermophilus HB8 | Descriptor: | putative acetyl-CoA acetyltransferase | Authors: | Ago, H, Hamada, K, Ida, K, Kanda, H, Sugahara, M, Yamamoto, M, Kuroishi, C, Kuramitsu, S, Yokoyama, S, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-09-16 | Release date: | 2004-11-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of tt0182 from Thermus thermophilus HB8 To be Published
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5KNC
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![BU of 5knc by Molmil](/molmil-images/mine/5knc) | Crystal structure of the 3 ADP-bound V1 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Suzuki, K, Mizutani, K, Maruyama, S, Shimono, K, Imai, F.L, Muneyuki, E, Kakinuma, Y, Ishizuka-Katsura, Y, Shirouzu, M, Yokoyama, S, Yamato, I, Murata, T. | Deposit date: | 2016-06-28 | Release date: | 2016-11-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.015 Å) | Cite: | Crystal structures of the ATP-binding and ADP-release dwells of the V1 rotary motor Nat Commun, 7, 2016
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5KP0
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![BU of 5kp0 by Molmil](/molmil-images/mine/5kp0) | Recognition and targeting mechanisms by chaperones in flagella assembly and operation | Descriptor: | Flagellar protein FliT,Flagellum-specific ATP synthase | Authors: | Khanra, N.K, Rossi, P, Economou, A, Kalodimos, C.G. | Deposit date: | 2016-07-01 | Release date: | 2016-08-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Recognition and targeting mechanisms by chaperones in flagellum assembly and operation. Proc.Natl.Acad.Sci.USA, 113, 2016
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5KKN
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![BU of 5kkn by Molmil](/molmil-images/mine/5kkn) | Crystal structure of human ACC2 BC domain in complex with ND-646, the primary amide of ND-630 | Descriptor: | 2-[1-[(2~{R})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide, Acetyl-CoA carboxylase 2 | Authors: | Wang, R, Paul, D, Tong, L. | Deposit date: | 2016-06-22 | Release date: | 2016-07-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Acetyl-CoA carboxylase inhibition by ND-630 reduces hepatic steatosis, improves insulin sensitivity, and modulates dyslipidemia in rats. Proc.Natl.Acad.Sci.USA, 113, 2016
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1KI3
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![BU of 1ki3 by Molmil](/molmil-images/mine/1ki3) | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH PENCICLOVIR | Descriptor: | 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE, SULFATE ION, THYMIDINE KINASE | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Jarvest, R.L, Summers, W.C, Sanderson, M.R. | Deposit date: | 1998-05-15 | Release date: | 1999-05-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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1UWX
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![BU of 1uwx by Molmil](/molmil-images/mine/1uwx) | P1.2 serosubtype antigen derived from N. meningitidis PorA in complex with Fab fragment | Descriptor: | ANTIBODY, CLASS 1 OUTER MEMBRANE PROTEIN VARIABLE REGION 2, PROTEIN G-PRIME | Authors: | Tzitzilonis, C, Prince, S.M, Collins, R.F, Maiden, M.C.J, Feavers, I.M, Derrick, J.P. | Deposit date: | 2004-02-12 | Release date: | 2005-06-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Variation and Immune Recognition of the P1.2 Subtype Meningococcal Antigen. Proteins: Struct., Funct., Bioinf., 62, 2005
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